Chung F. Wong

发表

Improving ensemble docking for drug discovery by machine learning

Chung F. Wong, 2019, Journal of Theoretical and Computational Chemistry.

Supercomputer simulation and biomolecular design

Chung F. Wong, J. Andrew McCammon, Girija Ganti, 1988 .

Steered molecular dynamics simulations for uncovering the molecular mechanisms of drug dissociation and for drug screening: A test on the focal adhesion kinase

Chung F. Wong, 2018, J. Comput. Chem..

Brownian dynamics simulations of the reactions of hydrated electrons with components of DNAs and a DNA double-helix

Roman Osman, Chung F. Wong, Harel Weinstein, 1997, J. Comput. Chem..

Program for Simulating Gel Electrophoresis of Enzyme-Digested Proteins

Chung F. Wong, Howard G. Mayes, Howard Mayes, 2018, Journal of Chemical Education.

Incorporating Receptor Flexibility into Structure-Based Drug Discovery

Chung F. Wong, 2015 .

Conformational selection of protein kinase A revealed by flexible‐ligand flexible‐protein docking

Chung F. Wong, Zunnan Huang, Zunnan Huang, 2009, J. Comput. Chem..

Relative contributions of desolvation, inter‐ and intramolecular interactions to binding affinity in protein kinase systems

James Andrew McCammon, Chung F. Wong, Peter A. Sims, 2005, J. Comput. Chem..

SRmapper: a fast and sensitive genome-hashing alignment tool

Chung F. Wong, Paul M. Gontarz, Jennifer Berger, 2013, Bioinform..

Protein Stability and Function

Terry P. Lybrand, J. Andrew McCammon, Chung F. Wong, 1989 .

Charge optimization of the interface between protein kinases and their ligands

James Andrew McCammon, Chung F. Wong, Peter A. Sims, 2004, J. Comput. Chem..

Molecular docking of balanol to dynamics snapshots of protein kinase A

J Andrew McCammon, Chung F Wong, Chung F. Wong, 2005, Proteins.

A computational model of binding thermodynamics: the design of cyclin-dependent kinase 2 inhibitors.

Chung F. Wong, J. Mccammon, P. Sims, 2003, Journal of medicinal chemistry.

MicroRNA-26a Targets the Histone Methyltransferase Enhancer of Zeste homolog 2 during Myogenesis*

Chung F. Wong, R. Tellam, 2008, Journal of Biological Chemistry.

Inexpensive Method for Selecting Receptor Structures for Virtual Screening

Chung F. Wong, Zunnan Huang, Chung F. Wong, 2016, J. Chem. Inf. Model..

Sensitivity Analysis in Biomolecular Simulation

Chung F. Wong, Thomas S. Thacher, H. Rabitz, 2007 .

Exploiting novel cell cycle targets in the development of anticancer agents.

Chung F. Wong, A. Burgess, A. Guminski, 2005, Current cancer drug targets.

Efficient quantum mechanical calculation of solvation free energies based on density functional theory, numerical atomic orbitals and Poisson–Boltzmann equation

Chung F. Wong, Mingliang Wang, Jianhong Liu, 2007 .

SENSITIVITY ANALYSIS OF A TWO-DIMENSIONAL SQUARE LATTICE MODEL OF PROTEIN FOLDING

Herschel Rabitz, Chung F. Wong, Richard E. Bleil, 1995 .

Sensitivity Analysis of a Polarizable Water Model

Sheng-Bai Zhu, Chung F. Wong, Sheng‐Bai Zhu, 1994 .

Flexible ligand-flexible protein docking in protein kinase systems.

Chung F Wong, Chung F. Wong, 2008, Biochimica et biophysica acta.

Entropy Loss of Hydroxyl Groups of Balanol upon Binding to Protein Kinase A

J. Andrew McCammon, Chung F. Wong, Gergely Gidofalvi, 2002 .

SUPPLEMENTING THE PBSA APPROACH WITH QUANTUM MECHANICS TO STUDY THE BINDING BETWEEN CDK2 AND N2-SUBSTITUTED O6-CYCLOHEXYLMETHOXYGUANINE INHIBITORS

Chung F. Wong, Jianhong Liu, Qianling Zhang, 2010 .

Sensitivity analysis of water thermodynamics

Chung F. Wong, Sheng‐Bai Zhu, Sheng‐Bai Zhu, 1993 .

Designing specific protein kinase inhibitors: insights from computer simulations and comparative sequence/structure analysis.

Chung F Wong, Chung F. Wong, Christine M. Gould, 2002, Pharmacology & therapeutics.

Sensitivity analysis of distribution functions of liquid water

Chung F. Wong, Sheng‐Bai Zhu, 1993 .

Incorporating Protein Flexibility in Molecular Docking by Molecular Dynamics: Applications to Protein Kinase and Phosphatase Systems

Chung F. Wong, Zunnan Huang, 2011 .

Systematic sensitivity analyses in free energy perturbation calculations

Chung F. Wong, 1991 .

Dynamics and design of enzymes and inhibitors

J. Andrew McCammon, Chung F. Wong, J. Mccammon, 1986 .

Sensitivity analysis and principal component analysis in free energy calculations

Chung F. Wong, Herschel Rabitz, 1991 .

Brownian Dynamics Simulations of Polyalanine in Salt Solutions

Chung F. Wong, Wenbin Yu, John Z. H. Zhang, 1996 .

Computer Simulation and the Design of New Biological Molecules

J. Andrew McCammon, Chung F. Wong, J. McCammon, 1986 .

Alterations in Gene Expression Associated with Head and Neck Squamous Cell Carcinoma Development.

Chung F. Wong, N. Saunders, C. Popa, 2004, Cancer genomics & proteomics.

Cytochrome c: A Molecular Proving Ground for Computer Simulations

Chung F. Wong, P. Wolynes, J. Mccammon, 1993 .

Molecular simulation of drug-binding kinetics

Chung F. Wong, 2014 .

Derivatives of Salicylic Acid as Inhibitors of YopH in Yersinia pestis

Chung F. Wong, Zunnan Huang, Zhon-Yin Zhang, 2010, Chemical biology & drug design.

Rank-ordering protein-ligand binding affinity by a quantum mechanics/molecular mechanics/Poisson-Boltzmann-surface area model.

Chung F Wong, Chung F. Wong, Mingliang Wang, 2007, The Journal of chemical physics.

Brownian dynamics simulation of helix-capping motifs.

Chung F. Wong, J. Mccammon, T. Shen, 2003, Biopolymers.

Exploring Host–Guest Complexation Mechanisms by a Molecular Dynamics/Quantum Mechanics/Continuum Solvent Model Approach

Chung F. Wong, X. Gong, Weihua Tang, 2016 .

Brownian dynamics simulations of ion atmospheres around polyalanine and B-DNA: effects of biomolecular dielectric.

Chung F. Wong, J. Mccammon, D. Cerutti, 2003, Biopolymers.

Influence of kinetics of drug binding on EGFR signaling: A comparative study of three EGFR signaling pathway models

Chung F. Wong, S. Bairy, 2011, Proteins.

E2F6: a member of the E2F family that does not modulate squamous differentiation.

Chung F. Wong, N. Saunders, C. Popa, 2004, Biochemical and biophysical research communications.

Association of the SULT1A1 R213H polymorphism with colorectal cancer

Chung F. Wong, N. Liyou, B. Leggett, 2002, Clinical and experimental pharmacology & physiology.

Simulation of ligand dissociation kinetics from the protein kinase PYK2

Chung F. Wong, F. Noé, Justin Spiriti, 2022, J. Comput. Chem..

E2F suppression and Sp1 overexpression are sufficient to induce the differentiation-specific marker, transglutaminase type 1, in a squamous cell carcinoma cell line

Chung F. Wong, N. Saunders, C. Popa, 2005, Oncogene.

Incorporating Binding Kinetics in Drug Design

Chung F. Wong, 2015 .

E2F Modulates Keratinocyte Squamous Differentiation

Chung F. Wong, N. Saunders, C. Popa, 2003, Journal of Biological Chemistry.

Beyond thermodynamics: drug binding kinetics could influence epidermal growth factor signaling.

Chung F. Wong, M. Goyal, M. Rizzo, 2009, Journal of medicinal chemistry.

A new class of salicylic acid derivatives for inhibiting YopH of Yersinia pestis.

Chung F. Wong, Zhon-Yin Zhang, Li Wu, 2014, Bioorganic & medicinal chemistry.

Brownian dynamics simulations of the reactions of hydrated electrons with components of DNAs and a DNA double‐helix

Chung F. Wong, R. Osman, H. Weinstein, 1997 .

Why heptakis(2,3-di-O-acetyl)-β-cyclodextrin can separate terbutaline enantiomers better than β-cyclodextrin: nonbonding and hydrophobic interactions

Chung F. Wong, Jun Luo, Guoli Chi, 2021, Journal of Inclusion Phenomena and Macrocyclic Chemistry.

Conformational transition paths harbor structures useful for aiding drug discovery and understanding enzymatic mechanisms in protein kinases

Chung F. Wong, 2016, Protein science : a publication of the Protein Society.

Variable atomic radii for continuum-solvent electrostatics calculation.

Chung F Wong, Chung F. Wong, Manish Agarwal, 2008, The Journal of chemical physics.

Why 2,6-di-methyl-β-cyclodextrin can encapsulate OH-substituted naphthalenes better than β-cyclodextrin: binding pose, non-covalent interaction and solvent effect

Chung F. Wong, Jun Luo, Baojing Zhou, 2021, Computational and Theoretical Chemistry.

AP-2 transcription factor family member expression, activity, and regulation in human epidermal keratinocytes in vitro.

Chung F. Wong, N. Saunders, C. Popa, 2004, Differentiation; research in biological diversity.

The structure of Sky1p reveals a novel mechanism for constitutive activity

Chung F. Wong, J. Mccammon, Xiang-Dong Fu, 2001, Nature Structural Biology.

Flexible receptor docking for drug discovery

Chung F. Wong, Chung F Wong, 2015, Expert opinion on drug discovery.

COMPUTATIONAL ANALYSIS OF THE INTERACTIONS BETWEEN THE ANGIOGENESIS INHIBITOR PD173074 AND FIBROBLAST GROWTH FACTOR RECEPTOR 1

Chung F. Wong, J. Mccammon, Kristin Tøndel, 2003 .

Release of ADP from the catalytic subunit of protein kinase A: A molecular dynamics simulation study

Chung F. Wong, J. Mccammon, B. Lu, 2005, Protein science : a publication of the Protein Society.

Direct estimation of entropy loss due to reduced translational and rotational motions upon molecular binding

Benzhuo Lu, Chung F Wong, Chung F. Wong, 2005, Biopolymers.

Biomolecular Simulation of Base Excision Repair and Protein Signaling

Chung F. Wong, T. Straatsma, J. Mccammon, 2006 .

Flexible protein–flexible ligand docking with disrupted velocity simulated annealing

Chung F Wong, Chung F. Wong, Ralph A Wheeler, 2008, Proteins.

A mining minima approach to exploring the docking pathways of p-nitrocatechol sulfate to YopH.

Chung F Wong, Chung F. Wong, Zunnan Huang, 2007, Biophysical journal.

Milestoning simulation of ligand dissociation from the glycogen synthase kinase 3β

Chung F. Wong, R. Elber, Samith Rathnayake, 2022, Proteins.

Qualitative Prediction of Ligand Dissociation Kinetics from Focal Adhesion Kinase Using Steered Molecular Dynamics

Chung F. Wong, Justin Spiriti, 2021, Life.

Brownian dynamics simulation of peptides with the University of Houston Brownian Dynamics (UHBD) program.

Chung F. Wong, T. Shen, 2015, Methods in molecular biology.

Theoretical studies of the spectroscopic properties of tryptamine, tryptophan and tyrosine

Chung F. Wong, A. Smolyar, 1999 .

Predicting helical segments in proteins by a helix‐coil transition theory with parameters derived from a structural database of proteins

Chung F. Wong, G. Misra, 1997, Proteins.

Docking flexible peptide to flexible protein by molecular dynamics using two implicit-solvent models: an evaluation in protein kinase and phosphatase systems.

Chung F Wong, Chung F. Wong, Zunnan Huang, 2009, The journal of physical chemistry. B.

Simulations of Molecular Mechanisms In Radiation Damage to DNA

Chung F. Wong, R. Osman, K. Miąskiewicz, 1995 .

EDock‐ML: A web server for using ensemble docking with machine learning to aid drug discovery

Chung F. Wong, Tanay Chandak, 2021, Protein science : a publication of the Protein Society.

Parametric sensitivity analysis of avian pancreatic polypeptide (APP)

H Rabitz, Chung F. Wong, Hong Zhang, 1995, Proteins.

Finite concentration effects on diffusion-controlled reactions.

J Andrew McCammon, Chung F Wong, Chung F. Wong, 2004, The Journal of chemical physics.

Protein simulation and drug design.

Chung F Wong, Chung F. Wong, Andrew J McCammon, 2003, Advances in protein chemistry.

A case study of scoring and rescoring in peptide docking.

Chung F. Wong, Zunnan Huang, 2012, Methods in molecular biology.

Ionic Association in Water: From Atoms to Enzymes a

Chung F. Wong, J A McCammon, T. Lybrand, 1986, Annals of the New York Academy of Sciences.

Protein flexibility and computer-aided drug design.

J Andrew McCammon, Chung F Wong, Chung F. Wong, 2003, Annual review of pharmacology and toxicology.

Superoxide dismutase: Fluctuations in the structure and solvation of the active site channel studied by molecular dynamics simulation

Chung F. Wong, Jian Shen, S. Subramaniam, 1989, Biopolymers.

Using machine learning to improve ensemble docking for drug discovery

Chung F. Wong, Tanay Chandak, John P Mayginnes, 2020, Proteins.

Variable atomic radii for continuum-solvent electrostatics calculation.

Chung F. Wong, Baojing Zhou, Manish Agarwal, 2008, The Journal of chemical physics.

Progress in Pathogen Detection by Whole-Genome Sequencing

Chung F. Wong, 2016 .

Hydration of superoxide studied by molecular dynamics simulation

Chung F. Wong, Jian Shen, J. McCammon, 1990 .