J. M. Perez-Aguilar

发表

Theoretical and computational protein design.

Christopher M. MacDermaid, I. Samish, Christopher M MacDermaid, 2011, Annual review of physical chemistry.

Computational Design of Membrane Proteins

J. M. Perez-Aguilar, J. Saven, 2012, Structure.

Structural Consequences of the Villin Headpiece Interaction with a Carbon Nitride Polyaniline (C3N) Nanosheet

R. Zhou, J. M. Perez-Aguilar, Zonglin Gu, 2020, bioRxiv.

Binding Site and Affinity Prediction of General Anesthetics to Protein Targets Using Docking Recommended Citation Binding Site and Affinity Prediction of General Anesthetics to Protein Targets Using Docking

J. M. Perez-Aguilar, J. Saven, Renyu Liu, 2022 .

NMR structure and dynamics of a designed water-soluble transmembrane domain of nicotinic acetylcholine receptor.

Jing He, Pei Tang, Wei Wang, 2012, Biochimica et biophysica acta.

Novel variants of engineered water soluble mu opioid receptors with extensive mutations and removal of cysteines

B. Selling, J. M. Perez-Aguilar, J. Saven, 2021, Proteins.

Characterization of an engineered water-soluble variant of the full-length human mu opioid receptor

J. M. Perez-Aguilar, J. Saven, Jinglei Ping, 2020, Journal of biomolecular structure & dynamics.

Molecular recognition of ketamine by a subset of olfactory G protein–coupled receptors

R. Eckenhoff, J. M. Perez-Aguilar, J. Saven, 2015, Science Signaling.

Oxidovanadium(V) complexes as promising anticancer photosensitizers.

N. A. Caballero, J. M. Perez-Aguilar, F. Melendez, 2020, Journal of inorganic biochemistry.

Graphene-extracted membrane lipids facilitate the activation of integrin αvβ8.

Serena H. Chen, R. Zhou, J. M. Perez-Aguilar, 2020, Nanoscale.

Effect of the alkyl substituent in NONOates derivatives on the reaction mechanism of NO liberation

N. A. Caballero, J. M. Perez-Aguilar, F. Melendez, 2019, Theoretical Chemistry Accounts.

Photoinduced Electron Transfer Elicits a Change in the Static Dielectric Constant of a de Novo Designed Protein.

C. Lanci, D. Beratan, J. M. Perez-Aguilar, 2016, Journal of the American Chemical Society.

Human μ Opioid Receptor Models with Evaluation of the Accuracy Using the Crystal Structure of the Murine μ Opioid Receptor

J. M. Perez-Aguilar, J. Saven, Renyu Liu, 2012, Journal of anesthesia & clinical research.

Interacting binding insights and conformational consequences of the differential activity of cannabidiol with two endocannabinoid-activated G-protein-coupled receptors

J. M. Perez-Aguilar, Brenda L. Sánchez-Gaytán, Juan C. Hernández, 2022, Frontiers in Pharmacology.

Conceptual DFT, QTAIM, and Molecular Docking Approaches to Characterize the T-Type Calcium Channel Blocker Anandamide

N. A. Caballero, J. M. Perez-Aguilar, F. Melendez, 2022, Frontiers in Chemistry.

Development of Novel Recombinant Antigens of Nucleoprotein and Matrix Proteins of Porcine orthorubulavirus: Antigenicity and Structural Prediction

J. M. Perez-Aguilar, Susana E Mendoza-Elvira, Julieta Sandra Cuevas-Romero, 2022, Viruses.

Substrate‐selective protein ectodomain shedding by ADAM17 and iRhom2 depends on their juxtamembrane and transmembrane domains

H. Weinstein, C. Blobel, T. Mak, 2020, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.

Phosphorylation regulates the secondary structure and function of dentin phosphoprotein peptides.

A. Boskey, J. M. Perez-Aguilar, R. Garduño-Juárez, 2017, Bone.

An In Silico study of TiO2 nanoparticles interaction with twenty standard amino acids in aqueous solution

R. Zhou, J. M. Perez-Aguilar, Xuanyu Meng, 2016, Scientific Reports.

Possible Co-Evolution of Polyglutamine and Polyproline in Huntingtin Protein: Proline-Rich Domain as Transient Folding Chaperone.

R. Zhou, J. M. Perez-Aguilar, Hongsuk Kang, 2022, The journal of physical chemistry letters.

Identification of Molecular Determinants in iRhoms1 and 2 That Contribute to the Substrate Selectivity of Stimulated ADAM17

C. Blobel, Xia Li, J. M. Perez-Aguilar, 2022, International journal of molecular sciences.

Polymers as Versatile Players in the Stabilization, Capping, and Design of Inorganic Nanostructures

J. M. Perez-Aguilar, Brenda L. Sánchez-Gaytán, Valeria J. González-Coronel, 2021, ACS omega.

Intrapallidal injection of cannabidiol or a selective GPR55 antagonist decreases motor asymmetry and improves fine motor skills in hemiparkinsonian rats

J. M. Perez-Aguilar, J. Aguilera, Felipe Patricio, 2022, Frontiers in Pharmacology.

Green chemistry approaches to the synthesis of pyrazoline steroid derivatives and their theoretical DFT characterization

J. M. Perez-Aguilar, Lisset Noriega, Penélope Merino-Montiel, 2022, Green Chemistry and Computational Chemistry.

Theoretical study of the stability and NMR spectroscopic properties of vanadium(V) complexes

N. A. Caballero, J. M. Perez-Aguilar, F. Melendez, 2019, Theoretical Chemistry Accounts.

Vanadium in Biological Action: Chemical, Pharmacological Aspects, and Metabolic Implications in Diabetes Mellitus

J. M. Perez-Aguilar, Brenda L. Sánchez-Gaytán, Eduardo Sánchez-Lara, 2018, Biological Trace Element Research.

A Functional Selectivity Mechanism at the Serotonin-2A GPCR Involves Ligand-Dependent Conformations of Intracellular Loop 2

George Khelashvili, Jufang Shan, Harel Weinstein, 2014, Journal of the American Chemical Society.

Multiple hindered rotators in a gyroscope-inspired tribenzylamine hemicryptophane.

J. M. Perez-Aguilar, J. Saven, I. Dmochowski, 2011, Journal of Organic Chemistry.

Vanadium in Biological Action: Chemical, Pharmacological Aspects, and Metabolic Implications in Diabetes Mellitus

J. M. Perez-Aguilar, Brenda L. Sánchez-Gaytán, Eduardo Sánchez-Lara, 2018, Biological Trace Element Research.

Differential Pd-nanocrystal facets demonstrate distinct antibacterial activity against Gram-positive and Gram-negative bacteria

R. Zhou, J. M. Perez-Aguilar, Z. Chai, 2018, Nature Communications.

Different protonated states at the C-terminal of the amyloid-β peptide modulate the stability of S-shaped protofibril.

R. Zhou, J. M. Perez-Aguilar, Zaixing Yang, 2019, The Journal of chemical physics.

Single-molecule analysis of ligand efficacy in β2AR-G protein activation

Jonathan A. Javitch, Brian K. Kobilka, Harel Weinstein, 2017, Nature.

Hydrolyzed Polyacrylamide as an In Situ Assistant in the Nucleation and Growth of Gold Nanoparticles

J. M. Perez-Aguilar, Brenda L. Sánchez-Gaytán, H. Martínez-Gutiérrez, 2022, Materials.

Differential Pd-nanocrystal facets demonstrate distinct antibacterial activity against Gram-positive and Gram-negative bacteria

R. Zhou, J. M. Perez-Aguilar, Z. Chai, 2018, Nature Communications.

Partial Denaturation of Villin Headpiece Upon Binding to a Carbon Nitride Polyaniline (C3N) Nanosheet.

R. Zhou, J. M. Perez-Aguilar, Lijun Meng, 2020, The journal of physical chemistry. B.

Orientational Binding of DNA Guided by the C2N Template.

Lin Zhao, R. Zhou, J. M. Perez-Aguilar, 2017, ACS nano.

Inhibitory mechanism of 17β-aminoestrogens in the formation of Aβ aggregates

N. A. Caballero, J. M. Perez-Aguilar, F. Melendez, 2019, Journal of Molecular Modeling.

N-body Information Theory (NbIT) Analysis of Rigid-Body Dynamics in Intracellular Loop 2 of the 5-HT2A Receptor

Harel Weinstein, Michael V. LeVine, Jose Manuel Perez-Aguilar, 2014, IWBBIO.

Structural Basis of the Binding Mode of the Antineoplastic Compound Motixafortide (BL-8040) in the CXCR4 Chemokine Receptor

N. A. Caballero, J. M. Perez-Aguilar, F. Melendez, 2023, International journal of molecular sciences.

Modeling and Structural Characterization of the Sweet Taste Receptor Heterodimer.

R. Zhou, J. M. Perez-Aguilar, Seung-gu Kang, 2019, ACS chemical neuroscience.

The single-atom catalytic activity of the hydrogen evolution reaction of the experimentally synthesized boridene 2D material: a density functional theory study

Y. Tu, J. M. Perez-Aguilar, Zhijing Huang, 2023, Journal of Molecular Modeling.

Single Atom Catalysis for Hydrogen Evolution Reaction using Transition‐metal Atoms Doped g‐C 3 N 3 : A Density Functional Theory Study

Y. Tu, J. M. Perez-Aguilar, Zhijing Huang, 2023, ChemistrySelect.

Scalable Production of Highly Sensitive Nanosensors Based on Graphene Functionalized with a Designed G Protein-Coupled Receptor

Jeffery G. Saven, Yung Woo Park, Alexander Crook, 2014, Nano letters.

The C-Terminus of the mu Opioid Receptor Is Critical in G-Protein Interaction as Demonstrated by a Novel Graphene Biosensor

B. Selling, A. T. Johnson, J. M. Perez-Aguilar, 2021, IEEE Sensors Journal.

Theoretical Study of the Structural Stability, Chemical Reactivity, and Protein Interaction for NMP Compounds as Modulators of the Endocannabinoid System

N. A. Caballero, J. M. Perez-Aguilar, F. Melendez, 2022, Molecules.

Single-layered fluorinated graphene nanopores for H2/CH4 and H2/CO2 separation with high efficiency and selectivity

J. M. Perez-Aguilar, Tian Wang, Z. Gu, 2022, Journal of Molecular Modeling.

Fluorinated graphene nanomaterial causes potential mechanical perturbations to a biomembrane

J. M. Perez-Aguilar, Zonglin Gu, Guanhua Xie, 2022, Journal of Molecular Modeling.

Restricted binding of a model protein on C3N4 nanosheets suggests an adequate biocompatibility of the nanomaterial

J. M. Perez-Aguilar, Zonglin Gu, Qiwen Shao, 2021, RSC advances.

Exploring the Nanotoxicology of MoS2: A Study on the Interaction of MoS2 Nanoflakes and K+ Channels.

R. Zhou, M. Dong, J. M. Perez-Aguilar, 2017, ACS nano.

Mild Binding of Protein to C2 N Monolayer Reveals Its Suitable Biocompatibility.

R. Zhou, J. M. Perez-Aguilar, Baoyu Li, 2017, Small.

Reversible Thermo-Optical Response Nanocomposites Based on RAFT Symmetric Triblock Copolymers (ABA) of Acrylamide and N-Isopropylacrylamide and Gold Nanoparticles

J. M. Perez-Aguilar, Brenda L. Sánchez-Gaytán, H. Martínez-Gutiérrez, 2023, Polymers.

Computational Protein Design to Re-engineer Stromal Cell-derived Factor-1α (sdf) Generates an Effective and Translatable Angiogenic Polypeptide Analog Recommended Citation Computational Protein Design to Re-engineer Stromal Cell-derived Factor-1α (sdf) Generates an Effective and Translatable Angioge

J. R. Fitzpatrick, J. M. Perez-Aguilar, J. Saven, 2022 .

Robust Mechanical Destruction to the Cell Membrane of Carbon Nitride Polyaniline (C3N): A Molecular Dynamics Simulation Study

J. M. Perez-Aguilar, Xianfa Liu, Z. Gu, 2023, J. Chem. Inf. Model..

Structural modeling defines transmembrane residues in ADAM17 that are crucial for Rhbdf2–ADAM17-dependent proteolysis

H. Weinstein, G. Weskamp, C. Blobel, 2017, Journal of Cell Science.

Opioid binding sites in human serum albumin.

J. M. Perez-Aguilar, J. Saven, Renyu Liu, 2012, Anesthesia and analgesia.

Identification of Molecular Determinants in iRhoms1 and 2 That Contribute to the Substrate Selectivity of Stimulated ADAM17

C. Blobel, Xia Li, J. M. Perez-Aguilar, 2022, International journal of molecular sciences.

Inhibitory Mechanism of the Isoflavone Derivative Genistein in the Human CaV3.3 Channel.

N. A. Caballero, J. M. Perez-Aguilar, M. Castro, 2021, ACS Chemical Neuroscience.

Mild adsorption of carbon nitride (C3N3) nanosheet on a cellular membrane reveals its suitable biocompatibility.

Y. Tu, J. M. Perez-Aguilar, Zonglin Gu, 2021, Colloids and surfaces. B, Biointerfaces.

Computational Protein Design to Reengineer Stromal Cell–Derived Factor-1&agr; Generates an Effective and Translatable Angiogenic Polypeptide Analog

J. R. Fitzpatrick, J. M. Perez-Aguilar, J. Saven, 2011, Circulation.

Computational Protein Design to Re-Engineer Stromal Cell-Derived Computational Protein Design to Re-Engineer Stromal Cell-Derived Factor-1 α (SDF) Generates an Effective and Translatable Factor-1 (SDF) Generates an Effective and Translatable Angiogenic Polypeptide Analog Angiogenic Polypeptide Analo

J. R. Fitzpatrick, J. M. Perez-Aguilar, J. Saven, 2021 .

Computational Protein Design to Reengineer Stromal Cell-Derived Factor-1 alpha Generates an Effective and Translatable Angiogenic Polypeptide Analog

J. R. Fitzpatrick, J. M. Perez-Aguilar, J. Saven, 2022 .

A Computationally Designed Water-Soluble Variant of a G-Protein-Coupled Receptor: The Human Mu Opioid Receptor

Jeffery G. Saven, Jin Xi, Renyu Liu, 2013, PloS one.

Inhibitory mechanism of 17β-aminoestrogens in the formation of Aβ aggregates

J. M. Perez-Aguilar, F. Melendez, M. Castro, 2019, Journal of Molecular Modeling.

Phosphorylation regulates the secondary structure and function of dentin phosphoprotein peptides.

A. Boskey, J. M. Perez-Aguilar, R. Garduño-Juárez, 2017, Bone.

Peptide-based allosteric inhibitor targets TNFR1 conformationally active region and disables receptor-ligand signaling complex.

J. M. Perez-Aguilar, V. M. Baizabal-Aguirre, Jialiu Zeng, 2024, Proceedings of the National Academy of Sciences of the United States of America.

Villin headpiece unfolding upon binding to boridene mediated by the “anchoring-perturbation” mechanism

J. M. Perez-Aguilar, Yuqi Luo, Yiwen Huang, 2023, iScience.

Moderate binding of villin headpiece protein to C3N3 nanosheet reveals the suitable biocompatibility of this nanomaterial

J. M. Perez-Aguilar, Yuqi Luo, Weihua Liao, 2023, Scientific reports.

Binding Site and Affinity Prediction of General Anesthetics to Protein Targets Using Docking

J. M. Perez-Aguilar, J. Saven, Renyu Liu, 2012, Anesthesia and analgesia.

In Silico Approach: Anti-Tuberculosis Activity of Caespitate in the H37Rv Strain

J. M. Perez-Aguilar, Andrea Moreno-Ceballos, Maria Eugenia Castro, 2024, Current issues in molecular biology.

Molecular Dynamic Simulations for Biopolymers with Biomedical Applications

J. M. Perez-Aguilar, R. A. Zubillaga, Luis Fernando Lozano-Aguirre Beltrán, 2024, Polymers.