J. Facelli

发表

A third blind test of crystal structure prediction.

T. C. Lewis, H. Scheraga, C. Pantelides, 2005, Acta crystallographica. Section B, Structural science.

Theoretical study of the in-plane components of the 13C shielding tensors in condensed aromatic hydrocarbons

J. Facelli, D. Grant, 1987 .

Structure and electronic properties of lithium–silicon clusters

J. Facelli, M. B. Ferraro, Sebastián I. González, 2013 .

Using supervised machine learning classifiers to estimate likelihood of participating in clinical trials of a de-identified version of ResearchMatch

S. Abdelrahman, J. Facelli, Janette Vazquez, 2020, Journal of Clinical and Translational Science.

Chemical shift tensors: theory and application to molecular structural problems.

J. Facelli, 2011, Progress in nuclear magnetic resonance spectroscopy.

Modified genetic algorithm to model crystal structures. I. Benzene, naphthalene and anthracene

V. Bazterra, J. Facelli, M. B. Ferraro, 2002 .

Modified genetic algorithm to model crystal structures. II. Determination of a polymorphic structure of benzene using enthalpy minimization

V. Bazterra, J. Facelli, M. B. Ferraro, 2002 .

Gene co-expression network analysis for identifying modules and functionally enriched pathways in SCA2

Lance T. Pflieger, Daniel R. Scoles, S. Pulst, 2017, Human molecular genetics.

Human activity pattern implications for modeling SARS-CoV-2 transmission

Ramkiran Gouripeddi, Julio C. Facelli, J. Facelli, 2020, Computer Methods and Programs in Biomedicine.

Consensus: a framework for evaluation of uncertain gene variants in laboratory test reporting

Joyce A. Mitchell, Elaine Lyon, Julio C Facelli, 2012, Genome Medicine.

Predicting cytotoxicity of PAMAM dendrimers using molecular descriptors

Hamidreza Ghandehari, Julio C Facelli, J. Facelli, 2015, Beilstein journal of nanotechnology.

Looking Behind the Curtain: Identifying Factors Contributing to Changes on Care Outcomes During a Large Commercial EHR Implementation

Tiago K. Colicchio, Vanessa D. Colicchio, G. Del Fiol, 2019, EGEMS.

Calculations of chemical shieldings: Theory and applications

Julio C. Facelli, J. Facelli, 2004 .

COMPARISON OF 13C CHEMICAL SHIELDING ANISOTROPY IN MODEL COMPOUNDS & COALS WITH THEORETICAL VALUES

J. Facelli, D. Grant, R. Pugmire, 1991 .

Magnetic Shielding and Chemical Shifts: Basics

J. Facelli, A. Orendt, 2008 .

Modeling NMR chemical shifts: surface charge representation of the electrostatic embedding potential modeling of crystalline intermolecular effects in 19F solid state NMR chemical shifts

J. Facelli, M. B. Ferraro, M. Ferraro, 2002 .

Modeling NMR chemical shifts: crystal potential derived point charge (CPPCh) model to calculate solid state effects on 31P chemical shifts tensors

J. Facelli, M. B. Ferraro, M. Caputo, 2000 .

Modeling NMR chemical shift: A survey of density functional theory approaches for calculating tensor properties.

J. Facelli, R. Iuliucci, T. H. Sefzik, 2005, The journal of physical chemistry. A.

Carbon-13 chemical shift tensors of carboxylic acids: GIAO calculations in acetic acid + methylamine dimer

J. Facelli, Z. Gu, A. McDermott, 1995 .

Effects of protonation on acetone: nuclear magnetic resonance and ab initio studies

J. Facelli, V. Mamatyuk, L. Krivdin, 1992 .

Modeling the 13C chemical‐shift tensor in organic single crystals by quantum mechanical methods: finite basis set effects

J. Facelli, R. Iuliucci, T. H. Sefzik, 2006, Magnetic resonance in chemistry : MRC.

Low-temperature carbon-13 magnetic resonance in solids. 3. Linear and pseudolinear molecules

W. Kutzelnigg, J. Facelli, J. Michl, 1984 .

Low-temperature carbon-13 magnetic resonance in solids. 7. Methyl carbons

J. Facelli, J. Michl, D. Grant, 1986 .

Carbon-13 shielding tensors: experimental and theoretical determination

J. Facelli, J. Michl, D. Grant, 1987 .

Carbon-13 chemical shielding tensors in polycyclic aromatic compounds. 1. single-crystal study of pyrene

D. W. Alderman, J. Facelli, D. Grant, 1987 .

A comparison of the IGLO and LORG methods for the calculations of nuclear magnetic shieldings

J. Facelli, D. Grant, A. Hansen, 1990 .

Determination of molecular symmetry in crystalline naphthalene using solid-state NMR

J. Facelli, D. Grant, 1993, Nature.

13C DIPOLAR NMR SPECTRUM OF MATRIX-ISOLATED O-BENZYNE-1,2-13C2

Julio C. Facelli, David M. Grant, Josef Michl, 1996 .

Optimization of Crystal Structures of Archetypical Pharmaceutical Compounds: A Plane-Wave DFT-D Study Using Quantum Espresso

J. Facelli, M. B. Ferraro, G. I. Pagola, 2013 .

Molecular Structure and Carbon‐13 Chemical Shielding Tensors Obtained from Nuclear Magnetic Resonance

J. Facelli, D. Grant, 2007 .

Mechanical properties of drug loaded diblock copolymer bilayers: A molecular dynamics study.

Juan M. R. Albano, J. Facelli, M. B. Ferraro, 2018, The Journal of chemical physics.

Diblock copolymer bilayers as model for polymersomes: A coarse grain approach.

Juan M. R. Albano, J. Facelli, M. B. Ferraro, 2017, The Journal of chemical physics.

K-means cluster analysis of cooperative effects of CO, NO2, O3, PM2.5, PM10, and SO2 on incidence of type 2 diabetes mellitus in the US.

J. Facelli, R. Gouripeddi, N. Riches, 2022, Environmental research.

Magnesium interactions with a CX26 connexon in lipid bilayers

Juan M. R. Albano, J. Facelli, M. B. Ferraro, 2019, Journal of Molecular Modeling.

The Effects of Calcium on Lipid–Protein Interactions and Ion Flux in the Cx26 Connexon Embedded into a POPC Bilayer

Juan M. R. Albano, J. Facelli, M. B. Ferraro, 2019, The Journal of Membrane Biology.

Effects of the enlargement of polyglutamine segments on the structure and folding of ataxin-2 and ataxin-3 proteins

Julio C Facelli, Jingran Wen, Jingran Wen, 2017, Journal of biomolecular structure & dynamics.

Molecular dynamics analysis of the aggregation propensity of polyglutamine segments

Jingran Wen, J. Facelli, D. Scoles, 2017, PloS one.

13C NMR and polarized IR spectra of vicinally labeled [13C2]cyclobutadiene in an argon matrix: Interconversion of valence tautomers

J. G. Radziszewski, J. Facelli, J. Michl, 1988 .

4549 Reproducible Informatics for Reproducible Translational Research

Karen Eilbeck, Katherine Sward, Mollie R. Cummins, 2020, Journal of Clinical and Translational Science.

2166: Semantic characterization of clinical trial descriptions from ClincalTrials.gov and patient notes from MIMIC-III

J. Facelli, R. Gouripeddi, Jianyin Shao, 2017 .

A role for the MEGF6 gene in predisposition to osteoporosis

L. Cannon-Albright, C. Teerlink, J. Facelli, 2020, bioRxiv.

Ab initio molecular orbital studies of chemical shielding in transition-metal compounds: 95Mo shielding in molybdate and thiomolybdate [MoOnS(4−n)]2− anions

J. Facelli, M. Barfield, J. Combariza, 1989 .

Primary care perspectives on implementation of clinical trial recruitment

J. Facelli, C. Weir, Heidi Kramer, 2019, Journal of Clinical and Translational Science.

Solving Interoperability in Translational Health

Joseph M. Plasek, Casey A. Rommel, Juandalyn L. Burke, 2017, Appl. Clin. Inform..

Solid‐state 13C NMR and quantum chemical investigation of metal diene complexes

J. Facelli, R. Pugmire, R. D. Ernst, 2007, Magnetic resonance in chemistry : MRC.

ENABLING LEGACY SOFTWARE TOOL AS A GRID SERVICE FOR BIOMEDICAL RESEARCH

J. Facelli, S. Krikov, 2012 .

Understanding synchronization and hyper-synchronization in the the septo-hippocampal system

J. Facelli, L. Colom, A. García-Hernández, 2010, BMC Neuroscience.

Study of the Lamellar and Micellar Phases of Pluronic F127: A Molecular Dynamics Approach

Juan M. R. Albano, J. Facelli, M. B. Ferraro, 2019, Processes.

15N Chemical Shift Principal Values in Nitrogen Heterocycles

J. Facelli, D. Grant, R. Pugmire, 1997 .

Low-temperature carbon-13 magnetic resonance in solids. 3. Linear and pseudolinear molecules

W. Kutzelnigg, J. Facelli, J. Michl, 1984 .

Report on the sixth blind test of organic crystal structure prediction methods

Claire S. Adjiman, Julio C. Facelli, Sanjaya Lohani, 2016, Acta crystallographica Section B, Structural science, crystal engineering and materials.

Crystal Structure Prediction from First Principles: The Crystal Structures of Glycine.

J. Facelli, M. B. Ferraro, G. I. Pagola, 2015, Chemical physics letters.

Settings of Continuous Glucose Monitoring Systems and Associations to Glucose Outcomes in Type 1 Diabetes

J. Facelli, M. Varner, R. Gouripeddi, 2019 .

Perspective Enabling a learning healthcare system with automated computer protocols that produce replicable and personalized clinician actions Perspective

Dean F. Sittig, Michael V. Boland, Brian C. Stagg, 2021 .

Enabling a learning healthcare system with automated computer protocols that produce replicable and personalized clinician actions

Dean F Sittig, Peter J Pronovost, Steen Andreassen, 2021, J. Am. Medical Informatics Assoc..

Effect of intramolecular interaction between polar and polarizable bonds on13C shielding constants in different conformations of 2-methoxy- and 2-vinyloxynaphthalene molecules: Anab initio study

J. Facelli, M. Ferraro, A. Afonin, 1999 .

Experimental and theoretical study of the methoxy group conformational effect on 13C chemical shifts in ortho‐substituted anisoles

J. Facelli, A. Pomilio, R. Biekofsky, 1989 .

Nitrogen-15 chemical shift in the pyridine-methanol complex

J. Facelli, 2000 .

A theoretical study of the acetate 13C chemical shift tensor in cadmium acetate dihydrate

J. Facelli, D. Grant, A. Orendt, 1999 .

Nitrogen-15 chemical shifts in AT (adenine-thymine) and CG (cytosine-guanine) nucleic acid base pairs.

J. Facelli, 1998, Journal of biomolecular structure & dynamics.

Modeling NMR chemical shifts: a comparison of charge models for solid state effects on 15N chemical shift tensors.

J. Facelli, M. Ferraro, V. Repetto, 1998, Solid state nuclear magnetic resonance.

Proximity effects on the nuclear magnetic shielding tensor: Part 1. An ab initio study of 17O and 19F chemical shifts in the proximity of a methyl group

J. Facelli, R. H. Contreras, M. F. Tufró, 1993 .

Carbon-13 Chemical Shielding Tensors in Sugars: Sucrose and Methyl-α-D-Glucopyranoside

D. W. Alderman, M. Sherwood, J. Facelli, 1993 .

Advances in Theoretical and Physical Aspects of Spin—Spin Coupling Constants

J. Facelli, V. Barone, J. Peralta, 2005 .

Low-temperature carbon-13 magnetic resonance. 8. Chemical shielding anisotropy of olefinic carbons

J. Facelli, J. Michl, D. Grant, 1988 .

Low-temperature carbon-13 magnetic resonance in solids. 5. Chemical shielding anisotropy of the 13CH2 group

J. Facelli, J. Michl, D. Grant, 1985 .

Iglo calculations of the antisymmetric components of nuclear magnetic shielding tensors

J. Facelli, J. Michl, D. Grant, 1984 .

15N chemical shift tensors of uracil determined from 15N powder pattern and 15N-13C dipolar NMR spectroscopy

J. Facelli, D. Grant, C. Poulter, 1995 .

Solid State 15N and 13C NMR Study of Several Metal 5,10,15,20-Tetraphenylporphyrin Complexes

J. Facelli, D. Grant, R. Pugmire, 1997 .

Relationship of 13C NMR chemical shift tensors to diffraction structures.

J. Facelli, D. Grant, R. Iuliucci, 1995, Acta crystallographica. Section B, Structural science.

Importance of multicenter integrals in semiempirical calculations of nuclear spin-spin coupling constants. 1. Isotropic coupling

J. Facelli, M. Barfield, 1984 .

13C NMR investigation of solid-state polymorphism in 10-deacetyl baccatin III.

J. Facelli, D. Grant, J. Harper, 2002, Journal of the American Chemical Society.

Comment on ‘‘Intrinsic convergence in close‐shell SCF calculations. A general criterion’’

J. Facelli, R. H. Contreras, 1982 .

Carbon-13 Chemical Shift Tensors in Polycyclic Aromatic Compounds. 5. Single-Crystal Study of Acenaphthene

D. W. Alderman, J. Facelli, D. Grant, 1995 .

New theoretical results on the CO…cyclobutadiene complex

J. Facelli, 1990 .

Carbon-13 chemical shift tensors in aromatic compounds. 4. Substituted naphthalenes

J. Facelli, D. Grant, R. Pugmire, 1992 .

Shielding Tensor Calculations

J. Facelli, 2011 .

Environmental exposures in machine learning and data mining approaches to diabetes etiology: A scoping review

J. Facelli, R. Gouripeddi, Sejal Mistry, 2023, Artif. Intell. Medicine.

Influence of the INDO parameterization on the indirect spin–spin coupling constants as calculated by the FPT INDO method

G. Scuseria, J. Facelli, R. H. Contreras, 1980 .

The contribution of molecular vibrations to calculated spin-spin coupling constants: A comparison of different commonly-used methods

G. Scuseria, J. Facelli, R. H. Contreras, 1979 .

Modeling of Asphaltenes: Assessment of Sensitivity of 13C Solid State NMR to Molecular Structure

J. Facelli, R. Pugmire, S. Badu, 2012 .

Ring current effects in crystals. Evidence from 13C chemical shift tensors for intermolecular shielding in 4,7-di-t-butylacenaphthene versus 4,7-di-t-butylacenaphthylene.

J. Facelli, D. Grant, R. Pugmire, 2007, The journal of physical chemistry. A.

Intermolecular shielding from molecular magnetic susceptibility. A new view of intermolecular ring current effects

J. Facelli, 2006, Magnetic resonance in chemistry : MRC.

Infrared spectrum of divinyl telluride and theoretical analysis of divinyl group VI compounds

K. Sohlberg, J. Facelli, B. Trofimov, 1995 .

Advances in theoretical and physical aspects of spin-spin coupling constants

J. Facelli, J. Peralta, R. H. Contreras, 1993 .

Formation of one dimensional linear chains by Ir–Ir bonds in cis-dicarbonyldichloroiridate (I)

J. Facelli, M. B. Ferraro, O. Oña, 2011 .

The use of partially restricted molecular orbitals to investigate transmission mechanisms of spin-spin coupling constants. I. Theσ andπ contributions within the FPT INDO method

J. Facelli, R. H. Contreras, A. R. Engelmann, 1981 .

The use of partially restricted molecular orbitals to investigate transmission mechanisms of spin–spin coupling constants. III—an INDO study of long‐range FH couplings in fluorinated derivatives of toluene

Julio C. Facelli, Rubén H. Contreras, J. Facelli, 1982 .

Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

Claire S. Adjiman, Julio C. Facelli, Constantinos C. Pantelides, 2011, Acta crystallographica. Section B, Structural science.

The effect of transverse cross relaxation on nuclear magnetic resonance dipolar spectra

J. Facelli, D. Grant, Z. Gan, 1988 .

13C dipolar spectroscopy of nitromethane

J. Facelli, D. Grant, M. Solum, 1988 .

Inclusion of hydrogen p orbitals in the semiempirical calculation of NMR parameters: II. Influence on the geometrical dependence of the FPT—INDO spin—spin coupling constants

J. Facelli, R. H. Contreras, 1981 .

Ab initio study of the internal rotation barrier of formamide and the formamide–H2O complex

J. Simons, J. Facelli, Xiao‐Chuan Wang, 1993 .

Carbon-13 chemical shift tensors in polycyclic aromatic compounds. 2. Single-crystal study of naphthalene

D. W. Alderman, M. Sherwood, J. Facelli, 1991 .

The origin of the splitting of 13C and 15N NMR signals of 3(5)-phenyl-5(3)-methylpyrazolium chloride and bromide in the solid state: Quantum Espresso calculations

J. Facelli, M. B. Ferraro, J. Elguero, 2014 .

Vibrational and electronic spectra of matrix-isolated nitrogen trimer radical and azide

J. Facelli, J. Michl, R. Tian, 1988 .

Ab initio study of cyclobutadiene and its aza-substituted derivatives. Ground state properties and vibrational frequencies

J. Facelli, 1991 .

Low-temperature 13C magnetic resonance in solids. VI: Methine carbons

J. Facelli, J. Michl, D. Grant, 1986 .

Ab initio and oxygen-17 NMR study of aromatic compounds with dicoordinate oxygen atoms. 2. Intramolecular hydrogen bonding in hydroxy- and methoxybenzene derivatives

J. Facelli, A. Pomilio, R. Biekofsky, 1991 .

Natural-abundance studies of 13C13C coupling constants. Substituent dependencies of directly bonded and vicinal 13C13C coupling constants in 1-substituted bicycloalkanes

E. W. Della, J. Facelli, M. Barfield, 1984 .

Transmission of spin—spin coupling constants through different paths in bicyclo(2,2,1)heptane: their calculation using inner projections of the polarization propagator

G. Scuseria, J. Facelli, R. H. Contreras, 1983 .

The NMR analysis of the methoxy-group conformation in 4-methoxy-2-nitroaniline

J. Facelli, D. Kowalewski, R. H. Contreras, 1982 .

Transmission mechanisms of inter‐proton long‐range couplings in substituted anisoles

J. Facelli, D. Kowalewski, R. H. Contreras, 1981 .

Intermolecular shielding contributions studied by modeling the (13)C chemical-shift tensors of organic single crystals with plane waves.

K. Mueller, J. Facelli, G. Fitzgerald, 2009, The Journal of chemical physics.

Clean and Secure Energy from Domestic Oil Shale and Oil Sands Resources

Jan D. Miller, Milind Deo, John McLennan, 2015 .

Three-Dimensional Structure of the Siskin Green River Oil Shale Kerogen Model: A Comparison between Calculated and Observed Properties

J. Facelli, R. Pugmire, K. Chapman, 2013 .

Evidence of indirect spin–spin coupling in crystalline and glassy As–chalcogen compounds

J. Facelli, P. Hari, P. Taylor, 2003 .

From NMR spectra to structure

J. Facelli, M. B. Ferraro, M. Ferraro, 2013 .

Molecular dynamics simulations in drug delivery research: Calcium chelation of G3.5 PAMAM dendrimers

Julio C. Facelli, Hamidreza Ghandehari, J. Facelli, 2016, Cogent chemistry.

Uncertainty quantification in breast cancer risk prediction models using self-reported family health history

Julio C. Facelli, Lance T. Pflieger, Clinton C. Mason, 2017, Journal of Clinical and Translational Science.

Indirect Coupling: Semiempirical Calculations

J. Facelli, 2007 .

Inclusion of hydrogen p orbitals in the semiempirical calculation of NMR parameters. III: INDO CHF calculations of orbital and dipolar contributions to spin–spin coupling constants involving protons†

J. Facelli, R. H. Contreras, R. Contreras, 1981 .

A theoretical study of medium effects on the transmission mechanisms of the fermi contact term of spin–spin coupling constants in the acetamide molecule

J. Facelli, R. H. Contreras, C. Giribet, 1984 .

A novel CDKN2A variant (p16L117P) in a patient with familial and multiple primary melanomas

J. Facelli, B. Liu, D. Grossman, 2019, Pigment cell & melanoma research.

A Rare Variant in ERF (rs144812092) Predisposes to Prostate and Bladder Cancers in an Extended Pedigree

J. Schleutker, L. Cannon-Albright, N. Agarwal, 2021, Cancers.

An intronic variant in the CELF4 gene is associated with risk for colorectal cancer.

L. Cannon-Albright, C. Teerlink, J. Facelli, 2021, Cancer epidemiology.

A Nonsynonymous Variant in the GOLM1 Gene in Cutaneous Malignant Melanoma

L. Cannon-Albright, J. Farnham, Alun Thomas, 2018, Journal of the National Cancer Institute.

Theoretical study of the adsorption of H on Si n clusters, (n=3-10).

V. Bazterra, P. Fuentealba, J. Facelli, 2005, The Journal of chemical physics.

A parallel genetic algorithm to discover patterns in genetic markers that indicate predisposition to multifactorial disease

Julio C. Facelli, Alun Thomas, Nicola J. Camp, 2008, Comput. Biol. Medicine.

A likely HOXC4 predisposition variant for Chiari malformations.

L. Cannon-Albright, J. Heiss, J. Facelli, 2022, Journal of neurosurgery.

Consensus: a framework for evaluation of uncertain gene variants in laboratory test reporting

Joyce A. Mitchell, Marc S. Williams, E. Lyon, 2012, Genome Medicine.

Utility of gene-specific algorithms for predicting pathogenicity of uncertain gene variants

Joyce A. Mitchell, Julio C. Facelli, Marc S. Williams, 2012, J. Am. Medical Informatics Assoc..

Modeling NMR chemical shifts : gaining insights into structure and environment

J. Facelli, A. Dios, 1999 .

Stratifying risk for onset of type 1 diabetes using islet autoantibody trajectory clustering

J. Facelli, R. Gouripeddi, Sejal Mistry, 2022, Diabetologia.

Quantitative determination of different carbon types in fusinite and anthracite coals from carbon-13 nuclear magnetic resonance chemical shielding line-shape analysis

J. Facelli, D. Grant, R. Pugmire, 1988 .

Medical Informatics and Bioinformatics

Joyce A. Mitchell, Julio C. Facelli, John F. Hurdle, 2012 .

Comparative pharmacokinetics of PAMAM-OH dendrimers and HPMA copolymers in ovarian tumor-bearing mice

A. Ray, J. Facelli, H. Ghandehari, 2013, Drug Delivery and Translational Research.

Ab initio study of the nitrogen lone-pair proximity effect on a methyl C-H bond in 2-methylpyridine

J. Facelli, M. F. Tufró, R. Contreras, 1992 .

The importance of the localization of the π-electron system on its ability to transmit the fermi contact term of HH coupling constants. A theoretical and experimental study

R. Piegaia, J. Facelli, D. Kowalewski, 1983 .

A proton NMR analysis of the OCH3 group conformation in 2‐methoxypyridines

J. Facelli, D. Kowalewski, R. Contreras, 1982 .

Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test.

Tejender S. Thakur, Bernd Schweizer, Elisabetta Venuti, 2009, Acta crystallographica. Section B, Structural science.

Alarm Settings of Continuous Glucose Monitoring Systems and Associations to Glucose Outcomes in Type 1 Diabetes

J. Facelli, M. Varner, Anu Sharma, 2019, Journal of the Endocrine Society.

Predicting Optimal Hypertension Treatment Pathways Using Recurrent Neural Networks

Mike Conway, Bruce E. Bray, Qing Zeng-Treitler, 2020, Int. J. Medical Informatics.

Modeling of Asphaltenes : Assessment of Sensitivity of 13 C SSNMR to Molecular Structure

J. Facelli, R. Pugmire, S. Badu, 2012 .

Cluster analysis of 13C chemical shift tensor principal values in polycyclic aromatic hydrocarbons

J. Facelli, R. Pugmire, Bret K. Nakagawa, 2001 .

Carbon-13 Shift Tensors in Polycyclic Aromatic Compounds. 8.1 A Low-Temperature NMR Study of Coronene and Corannulene

J. Facelli, D. Grant, R. Pugmire, 2000 .

Solid-State Effects on NMR Chemical Shifts

J. Facelli, A. Orendt, 2007 .

Carbonates, thiocarbonates, and the corresponding monoalkyl derivatives: III. The 13C chemical shift tensors in potassium carbonate, bicarbonate and related monomethyl derivatives.

J. Facelli, D. Grant, D. Stueber, 2002, Solid state nuclear magnetic resonance.

Carbon-13 chemical shift tensors in aromatic compounds. 3. Phenanthrene and triphenylene

C. D. Hughes, J. Facelli, D. Grant, 1992 .

High-Risk Pedigree Study Identifies LRBA (rs62346982) as a Likely Predisposition Variant for Prostate Cancer

L. Cannon-Albright, N. Agarwal, C. Teerlink, 2023, Cancers.

Utilizing a Blockchain for Managing Sensor Metadata in Exposure Health Studies

S. Kasera, J. Facelli, K. Sward, 2022, 2022 Intermountain Engineering, Technology and Computing (IETC).

Metadata discovery of heterogeneous biomedical datasets using token-based features

Ramkiran Gouripeddi, Jingran Wen, Julio C. Facelli, 2018 .

A review of the applications of data mining and machine learning for the prediction of biomedical properties of nanoparticles

Julio C. Facelli, David E. Jones, Hamidreza Ghandehari, 2016, Comput. Methods Programs Biomed..

Temporal Pattern Detection to Predict Adverse Events in Critical Care: Case Study With Acute Kidney Injury

Guilherme Del Fiol, Mohammad Amin Morid, Bruce E Bray, 2020, JMIR medical informatics.

Data model, dictionaries, and desiderata for biomolecular simulation data indexing and sharing

Julio C. Facelli, Julien C. Thibault, Daniel R. Roe, 2014, Journal of Cheminformatics.

A general framework to understand parallel performance in heterogeneous clusters: analysis of a new adaptive parallel genetic algorithm

Martin Cuma, Julio C. Facelli, Marta B. Ferraro, 2005, J. Parallel Distributed Comput..

Low-Temperature 13C Magnetic Resonance. 9.Steric Effects for Methyl Chemical Shift Tensors in Methylcyclohexanes

J. Facelli, D. Grant, A.B.T. Soderquist, 1995 .

A domain analysis model for eIRB systems: Addressing the weak link in clinical research informatics

Julio C. Facelli, Shan He, Scott P. Narus, 2014, J. Biomed. Informatics.

STHAM: An Agent Based Model for Simulating Human Exposure Across High Resolution Spatiotemporal Domains

Ramkiran Gouripeddi, Julio C Facelli, J. Facelli, 2020, Journal of Exposure Science & Environmental Epidemiology.

15N Chemical Shift Tensors in Nucleic Acid Bases

D. W. Alderman, J. Facelli, D. Grant, 1998 .

Characterization of uncertainty in the classification of multivariate assays: application to PAM50 centroid-based genomic predictors for breast cancer treatment plans

Miguel Martín, Julio C. Facelli, Mark T. W. Ebbert, 2011, Journal of Clinical Bioinformatics.

NMR AT CRYOGENIC TEMPERATURES : A 13C NMR STUDY OF FERROCENE

J. Facelli, D. Grant, A. Orendt, 1998 .

Healthcare Provider Reports on Social Determinants of Health in Opioid Treatment

J. Facelli, R. Gouripeddi, C. Cambron, 2023, Psych.

A rare FGF5 candidate variant (rs112475347) for predisposition to nonsquamous, nonsmall‐cell lung cancer

L. Cannon-Albright, C. Teerlink, J. Facelli, 2023, International journal of cancer.

Development of a Definition of Postacute Sequelae of SARS-CoV-2 Infection.

Michael I. Jordan, Jasmine A. Berry, Mollie R. Cummins, 2023, JAMA.

Sequential data mining of infection patterns as predictors for onset of type 1 diabetes in genetically at-risk individuals

J. Facelli, R. Gouripeddi, Sejal Mistry, 2023, J. Biomed. Informatics.

Predicting the start week of respiratory syncytial virus outbreaks using real time weather variables

Julio C. Facelli, Catherine J. Staes, Christopher G. Maloney, 2010, BMC Medical Informatics Decis. Mak..

Conformal Prediction in Clinical Medical Sciences

J. Facelli, Janette Vazquez, 2022, Journal of Healthcare Informatics Research.

Computational Feature Selection and Classification of RET Phenotypic Severity

Joyce A. Mitchell, Julio C. Facelli, Scott P. Narus, 2010 .

Detecting hypoglycemia-induced electrocardiogram changes in a rodent model of type 1 diabetes using shape-based clustering

J. Facelli, R. Gouripeddi, Sejal Mistry, 2023, PloS one.

The IHI Rochester Report 2022 on Healthcare Informatics Research: Resuming After the CoViD-19

Christopher C. Yang, P. Haddawy, G. Pozzi, 2023, Journal of Healthcare Informatics Research.

Transition from exo to endo Cu absorption in CuSi n clusters: a genetic algorithms density functional theory study

J. Facelli, M. B. Ferraro, O. Oña, 2011, Molecular simulation.

Ab initio global optimization of the structures of SinH, n=4-10, using parallel genetic algorithms

Julio C. Facelli, Marta B. Ferraro, Victor E. Bazterra, 2005 .

Modified genetic algorithms to model atomic cluster structures: CuSi clusters

Julio C. Facelli, Marta B. Ferraro, Patricio Fuentealba, 2004 .

Modified genetic algorithms to model cluster structures in medium-size silicon clusters

Julio C. Facelli, Marta B. Ferraro, Patricio Fuentealba, 2004 .

Atomistic modeling of oil shale kerogens and asphaltenes along with their interactions with the inorganic mineral matrix

J. Facelli, R. Pugmire, I. Pimienta, 2011 .

Using Biometric Data to Measure and Predict Emotional Engagement of Video Games

S. Abdelrahman, J. Facelli, Janette Vazquez, 2022, bioRxiv.

Structure analysis of the proteins associated with polyA repeat expansion disorders

J. Facelli, Rolando Hernandez, 2021, Journal of biomolecular structure & dynamics.

Understanding protein structural changes for oncogenic missense variants

J. Facelli, Rolando Hernandez, 2021, Heliyon.

Structure prediction of polyglutamine disease proteins: comparison of methods

Julio C. Facelli, Jingran Wen, Daniel R. Scoles, 2014, BMC Bioinformatics.

Generation and Classification of Activity Sequences for Spatiotemporal Modeling of Human Populations

Ramkiran Gouripeddi, Julio C Facelli, Albert M Lund, 2019, Online journal of public health informatics.

Hypertensive disorders of pregnancy and subsequent risk of Alzheimer's disease and other dementias

N. Foster, J. Padbury, J. Tschanz, 2023, Alzheimer's & dementia.

Crystal Structure Prediction (CSP) of Flexible Molecules using Parallel Genetic Algorithms with a Standard Force Field

Julio C. Facelli, Marta B. Ferraro, Anita M. Orendt, 2011 .

Improving cluster utilization through set based allocation policies

Quinn Snell, Julio C. Facelli, David B. Jackson, 2001, Proceedings International Conference on Parallel Processing Workshops.

Patient reported outcomes – experiences with implementation in a University Health Care setting

Rachel Hess, Vivian S. Lee, Howard Weeks, 2018, Journal of Patient-Reported Outcomes.

Indirect (J) coupling of inequivalent 75As nuclei in crystalline and glassy As2Se3 and AS2S3

J. Facelli, P. Hari, P. Taylor, 2003 .

Data-driven identification of temporal glucose patterns in a large cohort of nondiabetic patients with COVID-19 using time-series clustering

J. Facelli, R. Gouripeddi, Sejal Mistry, 2021, JAMIA open.

Nanoinformatics: developing new computing applications for nanomedicine

Martin Fritts, Pierre Grangeat, Alberto Anguita, 2012 .

Researching COVID to Enhance Recovery (RECOVER) adult study protocol: Rationale, objectives, and design

Michael I. Jordan, David E. Warren, David W. Chestek, 2023, medRxiv.

Effects of hydrogen bonding in the calculation of 15N chemical shift tensors: Benzamide

J. Facelli, D. Grant, R. Pugmire, 1996 .

Density functional theory calculations of the structure and the 15N and 13C chemical shifts of methyl bacteriopheophorbide a and bacteriochlorophyll a

Julio C. Facelli, J. Facelli, 1998 .

Low temperature 13C NMR magnetic resonance in solids 4. Cyclopropane, bicyclo[1.1.0]butane and [1.1.1] propellane

W. Kutzelnigg, J. Facelli, J. Michl, 1985 .

Analysis of the IGLO bond contributions to the 13C shielding tensors in the local bond frame

J. Facelli, J. Michl, D. Grant, 1987 .

Calcium interactions with Cx26 hemmichannel: Spatial association between MD simulations biding sites and variant pathogenicity

Julio C. Facelli, Juan M. R. Albano, Nahuel Mussini, 2018, Comput. Biol. Chem..

Associations between the Time in Hypoglycemia and Hypoglycemia Awareness Status in Type 1 Diabetes Patients Using Continuous Glucose Monitoring Systems.

J. Facelli, M. Varner, Anu Sharma, 2020, Diabetes technology & therapeutics.

Identification of pneumonia and influenza deaths using the death certificate pipeline

Julio C. Facelli, Sean Igo, Kailah Davis, 2012, BMC Medical Informatics and Decision Making.

Automatic Extraction of Nanoparticle Properties Using Natural Language Processing: NanoSifter an Application to Acquire PAMAM Dendrimer Properties

Julio C. Facelli, Sean Igo, John Hurdle, 2014, PloS one.

Characterization of Analytic and Experimental Uncertainty of RNA-seq Co-expression Network Determination: Application to SCA2

Lance T. Pflieger, S. Pulst, J. Facelli, 2020, 2020 IEEE International Conference on Healthcare Informatics (ICHI).

A Focus Area Maturity Model for a Statewide Master Person Index

Scott P. Narus, Sidney N. Thornton, Jeffrey Duncan, 2013, Online journal of public health informatics.

Global optimization of atomic cluster structures using parallel genetic algorithms

Julio C. Facelli, Marta B. Ferraro, Ofelia Oña, 2005 .

Nanoinformatics: developing new computing applications for nanomedicine

Joyce A. Mitchell, Fernando D. González Nilo, L. Milanesi, 2012, Computing.

Nanoinformatics : developing new computing applications for nanomedicine

Lopez-Campos, L. Milanesi, V. Maojo, 2017 .

Parallel Genetic Algorithms for Crystal Structure Prediction: Successes and Failures in Predicting Bicalutamide Polymorphs

Julio C. Facelli, Marta B. Ferraro, Anita M. Orendt, 2009, ICIC.

A Distributed Computing Method for Crystal Structure Prediction of Flexible Molecules: An Application to N-(2-Dimethyl-4,5-dinitrophenyl) Acetamide.

Victor E Bazterra, Matthew Thorley, Marta B Ferraro, 2007, Journal of chemical theory and computation.

Nonplanarity of the methoxy groups in o-dimethoxybenzene : quantum chemical calculations of the 17O chemical shieldings

J. Facelli, 1992 .

SaTScan on a Cloud: On-Demand Large Scale Spatial Analysis of Epidemics

Tim Freeman, Kate Keahey, Matthew Samore, 2010, Online journal of public health informatics.

Enabling GeneHunter as a Grid Service

S Krikov, R C Price, S A Matney, 2010, Methods of Information in Medicine.

A case for using grid architecture for state public health informatics: the Utah perspective

Wu Xu, Julio C. Facelli, Adi V. Gundlapalli, 2009, BMC Medical Informatics Decis. Mak..

Septo-hippocampal networks in chronic epilepsy

B. H. Bland, J. Facelli, L. Colom, 2010, Experimental Neurology.

Temporal Pattern Detection to Predict Adverse Events in Critical Care: Case Study With Acute Kidney Injury

G. Del Fiol, S. Abdelrahman, J. Facelli, 2019, JMIR medical informatics.

Microproteins: a 3D protein structure prediction analysis

J. Facelli, K. Thambu, Victoria Glomb, 2021, Journal of biomolecular structure & dynamics.

Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test.

Tejender S. Thakur, Jeffrey S. Tan, H. Scheraga, 2009, Acta crystallographica. Section B, Structural science.

Implementing public health analytical services: Grid enabling of MetaMap

Julio C. Facelli, Kailah Davis, Ronald C. Price, 2013, Proceedings of the 26th IEEE International Symposium on Computer-Based Medical Systems.

Federated Queries for Comparative Effectiveness Research: Performance Analysis

Julio C. Facelli, Lisa M. Schilling, Michael G. Kahn, 2012, HealthGrid.

Bmc Medical Informatics and Decision Making a Case for Using Grid Architecture for State Public Health Informatics: the Utah Perspective Background

Samuel D. LeFevre, J. Facelli, S. Narus, 2009 .

Quantum mechanical calculations and experimental measurement of N-terminal charge effects on 1HN and 1HC alpha chemical shifts in peptides.

W. Gmeiner, J. Facelli, 1998, Biopolymers.

Computational Science and Engineering Online (CSE-Online): A Cyber-Infrastructure for Scientific Computing

Yong Kim, Julio C. Facelli, Jihoon Choi, 2006, J. Chem. Inf. Model..

Chemical shift tensors: theory and application to molecular structural problems.

J. Facelli, 2011, Progress in nuclear magnetic resonance spectroscopy.

[NMR] Shielding Calculations

J. Facelli, 2003 .

Development of an informatics infrastructure for data exchange of biomolecular simulations: Architecture, data models and ontology$

J.C. Thibault, D.R. Roe, K. Eilbeck, 2015, SAR and QSAR in environmental research.

iBIOMES: Managing and Sharing Biomolecular Simulation Data in a Distributed Environment

Julio C. Facelli, Julien C. Thibault, Thomas E. Cheatham, 2013, J. Chem. Inf. Model..

Molecular dynamics study of the mechanical properties of drug loaded model systems: A comparison of a polymersome with a bilayer.

Juan M. R. Albano, J. Facelli, M. Pickholz, 2023, The Journal of chemical physics.

Prioritization of infectious epitopes for translational investigation in type 1 diabetes etiology.

J. Facelli, R. Gouripeddi, Sejal Mistry, 2023, Journal of autoimmunity.

Health information technology adoption: Understanding research protocols and outcome measurements for IT interventions in health care

Guilherme Del Fiol, Julio C. Facelli, Scott P. Narus, 2016, J. Biomed. Informatics.