F. Guarnieri

发表

Beta2 adrenergic receptor activation. Modulation of the proline kink in transmembrane 6 by a rotamer toggle switch.

J. Ballesteros, Lei Shi, G. Liapakis, 2002, The Journal of biological chemistry.

Simulated annealing of met-enkephalin: low energy states and their relevance to membrane-bound, solution and solid-state conformations

Stephen R. Wilson, F. Guarnieri, W. Cui, 1994 .

A Smart Monte Carlo Technique for Free Energy Simulations of Multiconformational Molecules. Direct Calculations of the Conformational Populations of Organic Molecules

W. C. Still, F. Guarnieri, H. Senderowitz, 1995 .

A self-consistent, microenvironment modulated screened coulomb potential approximation to calculate pH-dependent electrostatic effects in proteins.

F Guarnieri, F. Guarnieri, E. Mehler, 1999, Biophysical journal.

Theory and algorithms for mixed Monte Carlo-stochastic dynamics simulations

F. Guarnieri, 1995 .

Diverse fragment clustering and water exclusion identify protein hot spots.

F. Guarnieri, D. Pompliano, J. Kulp, 2011, Journal of the American Chemical Society.

The motif Tyr-X-X-hydrophobic residue mediates lysosomal membrane targeting of lysosome-associated membrane protein 1.

F. Guarnieri, J. August, M. Penno, 1993, The Journal of biological chemistry.

Engineering an intracellular pathway for major histocompatibility complex class II presentation of antigens.

Kathleen R. Cho, F. Guarnieri, D. Pardoll, 1995, Proceedings of the National Academy of Sciences of the United States of America.

Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).

Frank Guarnieri, Ted Fujimoto, Zenon Konteatis, 2011, Bioorganic & medicinal chemistry letters.

Designing an orally available nontoxic p38 inhibitor with a fragment-based strategy.

F. Guarnieri, 2015, Methods in molecular biology.

Molecular modeling and functional confirmation of a predicted fatty acid binding site of mitochondrial aspartate aminotransferase.

D. Stump, F. Guarnieri, P. Berk, 2011, Journal of molecular biology.

Characterization of protein-ligand interaction sites using experimental and computational methods.

Sandor Vajda, Frank Guarnieri, S. Vajda, 2006, Current opinion in drug discovery & development.

Binding hot spots and amantadine orientation in the influenza a virus M2 proton channel.

Dima Kozakov, Ryan Brenke, Dmitri Beglov, 2009, Biophysical journal.

Immunization with granulocyte-macrophage colony-stimulating factor-transduced, but not B7-1-transduced, lymphoma cells primes idiotype-specific T cells and generates potent systemic antitumor immunity.

D. Longo, F. Guarnieri, L. Kwak, 1996, Journal of immunology.

A human surfactant peptide-elastase inhibitor construct as a treatment for emphysema

M. Nugent, F. Guarnieri, E. Lucey, 2010, Proceedings of the National Academy of Sciences.

The Dichotomy Between Understanding and Treating Emphysema

F. Guarnieri, 2012 .

β2 Adrenergic Receptor Activation

J. Ballesteros, Lei Shi, G. Liapakis, 2002, The Journal of Biological Chemistry.

Use of a Molecular Switch Probe to Activate or Inhibit GIRK1 Heteromers In Silico Reveals a Novel Gating Mechanism

F. Guarnieri, D. Logothetis, G. Thakur, 2022, International journal of molecular sciences.

Conformational Memories and the Exploration of Biologically Relevant Peptide Conformations: An Illustration for the Gonadotropin-Releasing Hormone

H. Weinstein, F. Guarnieri, 1996 .

Designing a small molecule erythropoietin mimetic.

F. Guarnieri, 2015, Methods in molecular biology.

Treatment of established tumors with a novel vaccine that enhances major histocompatibility class II presentation of tumor antigen.

F. Guarnieri, D. Pardoll, K. Lin, 1996, Cancer research.

Exploration of biologically relevant conformations of anandamide, 2-arachidonylglycerol, and their analogues using conformational memories.

F Guarnieri, F. Guarnieri, D. Hurst, 1998, Journal of medicinal chemistry.

A rapidly convergent simulation method: Mixed Monte Carlo/stochastic dynamics

W. Clark Still, Frank Guarnieri, W. C. Still, 1994, J. Comput. Chem..

Functional Microdomains in G-protein-coupled Receptors

Robert P. Millar, Harel Weinstein, Stuart C. Sealfon, 1998, The Journal of Biological Chemistry.

Analysis of the Asymmetry of Activated EPO Receptor Enables Designing Small Molecule Agonists.

F. Guarnieri, 2017, Vitamins and hormones.

A proposed structure for transmembrane segment 7 of G protein-coupled receptors incorporating an asn-Pro/Asp-Pro motif.

K. Konvička, J. Ballesteros, H. Weinstein, 1998, Biophysical journal.

A refined model of the thyrotropin-releasing hormone (TRH) receptor binding pocket. Experimental analysis and energy minimization of the complex between TRH and TRH receptor.

F Guarnieri, R. Osman, F. Guarnieri, 1996, Biochemistry.

Restricted analogues provide evidence of a biologically active conformation of thyrotropin-releasing hormone.

R. Osman, F. Guarnieri, M. Gershengorn, 1996, Molecular pharmacology.

Conformational memories with variable bond angles

Robert M. Whitnell, Patricia H. Reggio, Dow P. Hurst, 2008, J. Comput. Chem..

Activation of the cannabinoid CB1 receptor may involve a W6 48/F3 36 rotamer toggle switch.

F Guarnieri, F. Guarnieri, D. Lynch, 2002, The journal of peptide research : official journal of the American Peptide Society.

Agonist alkyl tail interaction with cannabinoid CB1 receptor V6.43/I6.46 groove induces a helix 6 active conformation

J. Ballesteros, F. Guarnieri, D. Hurst, 2002 .

Agonist-induced Conformational Changes at the Cytoplasmic Side of Transmembrane Segment 6 in the β2 Adrenergic Receptor Mapped by Site-selective Fluorescent Labeling*

F Guarnieri, J. Ballesteros, F. Guarnieri, 2001, The Journal of Biological Chemistry.

The Enhanced Immune Response to the HIV gp160/LAMP Chimeric Gene Product Targeted to the Lysosome Membrane Protein Trafficking Pathway*

R. Siliciano, F. Guarnieri, T. August, 1997, The Journal of Biological Chemistry.

Targeting antigen-specific T cells by genetically engineered antigen presenting cells A strategy for specific immunotherapy of autoimmune disease

F. Guarnieri, D. Drachman, Bo Wu, 2000, Journal of Neuroimmunology.

Lysosome-associated membrane protein-1-mediated targeting of the HIV-1 envelope protein to an endosomal/lysosomal compartment enhances its presentation to MHC class II-restricted T cells.

R. Siliciano, F. Guarnieri, X. Lin, 1995, Journal of immunology.

Conformational memories and the endocannabinoid binding site at the cannabinoid CB1 receptor.

F. Guarnieri, A. Makriyannis, D. Lynch, 2002, Journal of medicinal chemistry.

Hot-spot identification on a broad class of proteins and RNA suggest unifying principles of molecular recognition

F. Guarnieri, J. Kulp, Ian S. Cloudsdale, 2017, PloS one.

Fragment-based design of small molecule PCSK9 inhibitors using simulated annealing of chemical potential simulations

F. Guarnieri, J. Kulp, Ian S. Cloudsdale, 2019, PloS one.

A fragment-based approach to the SAMPL3 Challenge

Qiang Wang, Frank Guarnieri, John L. Kulp, 2012, Journal of Computer-Aided Molecular Design.

Grand Canonical Monte Carlo Simulation of Ligand-Protein Binding

Matthew Clark, Frank Guarnieri, Jeffrey S. Wiseman, 2006, J. Chem. Inf. Model..

Simulated Annealing of Chemical Potential: A General Procedure for Locating Bound Waters. Application to the Study of the Differential Hydration Propensities of the Major and Minor Grooves of DNA

Mihaly Mezei, Frank Guarnieri, M. Mezei, 1996 .

Design, synthesis and biological evaluation of renin inhibitors guided by simulated annealing of chemical potential simulations.

F. Guarnieri, J. Kulp, B. Grella, 2017, Bioorganic & medicinal chemistry.

Screened Coulomb potential based implicit solvent model: Formulation and parameter development

Frank Guarnieri, Ernest L. Mehler, F. Guarnieri, 1998 .

Free Energy Calculations in Molecular Design: Predictions by Theory and Reality by Experiment with Enantioselective Podand Ionophores

W. C. Still, A. Armstrong, F. Guarnieri, 1994 .

A surface on the G protein beta-subunit involved in interactions with adenylyl cyclases.

R. Iyengar, H. Weinstein, F. Guarnieri, 1997, Proceedings of the National Academy of Sciences of the United States of America.

Hot-spot identification on a broad class of proteins and RNA suggest unifying principles of molecular recognition

F. Guarnieri, J. Kulp, Ian S. Cloudsdale, 2017, PloS one.

A critical role for a tyrosine residue in the cannabinoid receptors for ligand recognition.

F. Guarnieri, S. McAllister, G. Cabral, 2002, Biochemical pharmacology.

Calculation of rotational states of flexible molecules using simulated annealing

Stephen R. Wilson, Frank Guarnieri, F. Guarnieri, 1991 .

Molecular modeling and functional confirmation of a predicted fatty acid binding site of mitochondrial aspartate aminotransferase.

D. Stump, F. Guarnieri, P. Berk, 2011, Journal of molecular biology.

Conformational memories and a simulated annealing program that learns: Application to LTB4

Frank Guarnieri, Stephen R. Wilson, F. Guarnieri, 1995, J. Comput. Chem..

A refined model of the thyrotropin-releasing hormone (TRH) receptor binding pocket. Novel mixed mode Monte Carlo/stochastic dynamics simulations of the complex between TRH and TRH receptor.

F Guarnieri, R. Osman, F. Guarnieri, 1996, Biochemistry.

Computer simulation studies of the fully solvated wild-type and mutated GnRH in extended and beta-turn conformations.

M Mezei, F Guarnieri, M. Mezei, 1998, Journal of biomolecular structure & dynamics.