J Andrew McCammon

发表

Springs and speeds in free energy reconstruction from irreversible single-molecule pulling experiments.

David D L Minh, J Andrew McCammon, 2008, The journal of physical chemistry. B.

AutoGrow: A Novel Algorithm for Protein Inhibitor Design

Rommie E. Amaro, J Andrew McCammon, Jacob D Durrant, 2009, Chemical biology & drug design.

Improvements to the APBS biomolecular solvation software suite

Jiahui Chen, Guo-Wei Wei, Nathan A. Baker, 2017, Protein science : a publication of the Protein Society.

Implementation of Accelerated Molecular Dynamics in NAMD.

Klaus Schulten, J Andrew McCammon, Yi Wang, 2011, Computational science & discovery.

Order N algorithm for computation of electrostatic interactions in biomolecular systems

Benzhuo Lu, Jingfang Huang, Xiaolin Cheng, 2006, Proceedings of the National 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.

Mapping all-atom models onto one-bead Coarse Grained Models: general properties and applications to a minimal polypeptide model.

J Andrew McCammon, Walter Rocchia, Valentina Tozzini, 2006, Journal of chemical theory and computation.

On the use of molecular dynamics receptor conformations for virtual screening.

J Andrew McCammon, Sara E Nichols, Riccardo Baron, 2012, Methods in molecular biology.

Diffusion and association processes in biological systems: theory, computation and experiment

J Andrew McCammon, Rebecca C Wade, Paolo Mereghetti, 2011, BMC biophysics.

Accelerated molecular dynamics in computational drug design.

J Andrew McCammon, Jeff Wereszczynski, J. Mccammon, 2012, Methods in molecular biology.

Feature-preserving adaptive mesh generation for molecular shape modeling and simulation.

J Andrew McCammon, Michael J Holst, Zeyun Yu, 2008, Journal of molecular graphics & modelling.

Allostery in Its Many Disguises: From Theory to Applications.

Ruth Nussinov, Ivet Bahar, Dima Kozakov, 2019, Structure.

Independent-Trajectory Thermodynamic Integration: a practical guide to protein-drug binding free energy calculations using distributed computing.

Yi Wang, J Andrew McCammon, Riccardo Baron, 2012, Methods in molecular biology.

Ensemble Docking in Drug Discovery.

Rommie E. Amaro, J Andrew McCammon, Rommie E Amaro, 2018, Biophysical journal.

Phosphorylation effects on cis/trans isomerization and the backbone conformation of serine-proline motifs: accelerated molecular dynamics analysis.

Donald Hamelberg, J Andrew McCammon, Tongye Shen, 2005, Journal of the American Chemical Society.

Calculation of the Maxwell stress tensor and the Poisson-Boltzmann force on a solvated molecular surface using hypersingular boundary integrals.

Benzhuo Lu, Xiaolin Cheng, J Andrew McCammon, 2005, The Journal of chemical physics.

Allosteric effects of sodium ion binding on activation of the m3 muscarinic g-protein-coupled receptor.

J Andrew McCammon, Yinglong Miao, J. Mccammon, 2015, Biophysical journal.

(Thermo)dynamic role of receptor flexibility, entropy, and motional correlation in protein-ligand binding.

J Andrew McCammon, Riccardo Baron, J. Mccammon, 2008, ChemPhysChem.

BINANA: a novel algorithm for ligand-binding characterization.

J Andrew McCammon, Jacob D Durrant, Jacob D. Durrant, 2011, Journal of molecular graphics & modelling.

Ribosome motions modulate electrostatic properties

Joanna Trylska, Florence Tama, J Andrew McCammon, 2004, Biopolymers.

Kinetics of diffusion-controlled enzymatic reactions with charged substrates

Benzhuo Lu, J Andrew McCammon, J. Mccammon, 2010, PMC biophysics.

Estimating kinetic rates from accelerated molecular dynamics simulations: alanine dipeptide in explicit solvent as a case study.

Donald Hamelberg, J Andrew McCammon, J. Mccammon, 2007, The Journal of chemical physics.

Accelerated Molecular Dynamics Simulations of Protein Folding

J Andrew McCammon, Ferran Feixas, Yinglong Miao, 2016, Journal of computational chemistry.

Applying Molecular Dynamics Simulations to Identify Rarely Sampled Ligand-bound Conformational States of Undecaprenyl Pyrophosphate Synthase, an Antibacterial Target

William Sinko, J Andrew McCammon, Jacob D Durrant, 2011, Chemical biology & drug design.

Farnesyl Diphosphate Synthase Inhibitors from In Silico Screening

J Andrew McCammon, Steffen Lindert, Wei Zhu, 2013, Chemical biology & drug design.

Exploring global motions and correlations in the ribosome.

Joanna Trylska, J Andrew McCammon, Valentina Tozzini, 2005, Biophysical journal.

Asymmetric structural motions of the homomeric alpha7 nicotinic receptor ligand binding domain revealed by molecular dynamics simulation.

J Andrew McCammon, Palmer Taylor, Richard H. Henchman, 2003, Biophysical journal.

Three-dimensional geometric modeling of membrane-bound organelles in ventricular myocytes: bridging the gap between microscopic imaging and mathematical simulation.

Zeyun Yu, Masahiko Hoshijima, J Andrew McCammon, 2008, Journal of structural biology.

Structural and dynamic properties of water around acetylcholinesterase

J Andrew McCammon, Richard H. Henchman, Richard H Henchman, 2002, Protein science : a publication of the Protein Society.

AutoDocking dinucleotides to the HIV-1 integrase core domain: exploring possible binding sites for viral and genomic DNA.

J Andrew McCammon, Alexander L Perryman, 2002, Journal of medicinal chemistry.

Channel opening motion of alpha7 nicotinic acetylcholine receptor as suggested by normal mode analysis.

Benzhuo Lu, Xiaolin Cheng, J Andrew McCammon, 2006, Journal of molecular biology.

Rapid Estimation of Solvation Energy for Simulations of Protein-Protein Association.

J Andrew McCammon, Lynn F Ten Eyck, David S Cerutti, 2005, Journal of chemical theory and computation.

Ligand-induced conformational change in the alpha7 nicotinic receptor ligand binding domain.

J Andrew McCammon, Palmer Taylor, Richard H. Henchman, 2005, Biophysical journal.

On the application of accelerated molecular dynamics to liquid water simulations.

Donald Hamelberg, J Andrew McCammon, César Augusto F de Oliveira, 2006, The journal of physical chemistry. B.

Accelerating chemical reactions: exploring reactive free-energy surfaces using accelerated ab initio molecular dynamics.

Levi C. T. Pierce, J Andrew McCammon, J. Mccammon, 2011, The Journal of chemical physics.

Electrodiffusion: a continuum modeling framework for biomolecular systems with realistic spatiotemporal resolution.

Benzhuo Lu, Stephen D. Bond, J Andrew McCammon, 2007, The Journal of chemical physics.

The gates of ion channels and enzymes.

J Andrew McCammon, Huan-Xiang Zhou, J. Mccammon, 2010, Trends in biochemical sciences.

Studying functional dynamics in bio-molecules using accelerated molecular dynamics.

J Andrew McCammon, J. Mccammon, P. Markwick, 2011, Physical chemistry chemical physics : PCCP.

Exploring assembly energetics of the 30S ribosomal subunit using an implicit solvent approach.

Joanna Trylska, J Andrew McCammon, Charles L. Brooks III, 2005, Journal of the American Chemical Society.

Effects of Biomolecular Flexibility on Alchemical Calculations of Absolute Binding Free Energies.

Yi Wang, J Andrew McCammon, Morgan Lawrenz, 2011, Journal of chemical theory and computation.

Acetylcholinesterase: enhanced fluctuations and alternative routes to the active site in the complex with fasciculin-2.

Kaihsu Tai, J Andrew McCammon, Jennifer M. Bui, 2004, Journal of the American Chemical Society.

Multi-Timescale Conformational Dynamics of the SH3 Domain of CD2-Associated Protein using NMR Spectroscopy and Accelerated Molecular Dynamics**

Levi C. T. Pierce, J Andrew McCammon, Luca Mollica, 2012, Angewandte Chemie.

Key role of the REC lobe during CRISPR–Cas9 activation by ‘sensing’, ‘regulating’, and ‘locking’ the catalytic HNH domain

J Andrew McCammon, Giulia Palermo, Victor S Batista, 2018, Quarterly Reviews of Biophysics.

Nucleotide-dependent mechanism of Get3 as elucidated from free energy calculations

J Andrew McCammon, Jeff Wereszczynski, J. Mccammon, 2012, Proceedings of the National Academy of Sciences.

Optimized Radii for Poisson-Boltzmann Calculations with the AMBER Force Field.

J Andrew McCammon, Jessica M J Swanson, Stewart A. Adcock, 2005, Journal of chemical theory and computation.

A gating mechanism proposed from a simulation of a human alpha7 nicotinic acetylcholine receptor.

J Andrew McCammon, Richard H. Henchman, Richard H Henchman, 2005, Proceedings of the National Academy of Sciences of the United States of America.

Thioamide hydroxypyrothiones supersede amide hydroxypyrothiones in potency against anthrax lethal factor.

J Andrew McCammon, Yuhui Cheng, Seth M Cohen, 2009, Journal of medicinal chemistry.

Gated binding of ligands to HIV-1 protease: Brownian dynamics simulations in a coarse-grained model.

Joanna Trylska, J Andrew McCammon, Tongye Shen, 2006, Biophysical journal.

Mapping the nucleotide and isoform-dependent structural and dynamical features of Ras proteins.

J Andrew McCammon, Barry J Grant, J. Mccammon, 2008, Structure.

Electrostatic Free Energy and Its Variations in Implicit Solvent Models

J Andrew McCammon, Jianwei Che, Joachim Dzubiella, 2022 .

Distinct glycan topology for avian and human sialopentasaccharide receptor analogues upon binding different hemagglutinins: a molecular dynamics perspective.

Dong Xu, Rommie E. Amaro, J Andrew McCammon, 2009, Journal of molecular biology.

CRISPR-Cas9 conformational activation as elucidated from enhanced molecular simulations

J Andrew McCammon, Giulia Palermo, Yinglong Miao, 2017, Proceedings of the National Academy of Sciences.

How does activation loop phosphorylation modulate catalytic activity in the cAMP‐dependent protein kinase: A theoretical study

J Andrew McCammon, Yingkai Zhang, Yuhui Cheng, 2006, Protein science : a publication of the Protein Society.

Potentials of mean force for acetylcholine unbinding from the alpha7 nicotinic acetylcholine receptor ligand-binding domain.

J Andrew McCammon, Justin Gullingsrud, Deqiang Zhang, 2006, Journal of the American Chemical Society.

Discovery of a novel binding trench in HIV integrase.

J Andrew McCammon, Christoph A Sotriffer, Haihong Ni, 2004, Journal of medicinal chemistry.

Improved Boundary Element Methods for Poisson-Boltzmann Electrostatic Potential and Force Calculations.

Benzhuo Lu, J Andrew McCammon, J. Mccammon, 2007, Journal of chemical theory and computation.

iAPBS: a programming interface to Adaptive Poisson-Boltzmann Solver (APBS).

Nathan A. Baker, J Andrew McCammon, Robert Konecny, 2012, Computational science & discovery.

The binding mechanism, multiple binding modes, and allosteric regulation of Staphylococcus aureus Sortase A probed by molecular dynamics simulations

J Andrew McCammon, Jeff Wereszczynski, Kalli Kappel, 2012, Protein science : a publication of the Protein Society.

LigMerge: A Fast Algorithm to Generate Models of Novel Potential Ligands from Sets of Known Binders

J Andrew McCammon, Steffen Lindert, Jacob D Durrant, 2012, Chemical biology & drug design.

HBonanza: a computer algorithm for molecular-dynamics-trajectory hydrogen-bond analysis.

J Andrew McCammon, Jacob D Durrant, Jacob D. Durrant, 2011, Journal of molecular graphics & modelling.

Finite concentration effects on diffusion-controlled reactions.

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

Molecular-dynamics simulations of ELIC-a prokaryotic homologue of the nicotinic acetylcholine receptor.

Xiaolin Cheng, J Andrew McCammon, J. Mccammon, 2009, Biophysical journal.

Darwinian biophysics: Electrostatics and evolution in the kinetics of molecular binding

J Andrew McCammon, J. Mccammon, J. McCammon, 2009, Proceedings of the National Academy of Sciences.

Impact of calcium on N1 influenza neuraminidase dynamics and binding free energy

Rommie E. Amaro, J Andrew McCammon, Morgan Lawrenz, 2010, Proteins.

A novel switch region regulates H‐ras membrane orientation and signal output

J Andrew McCammon, Daniel Abankwa, Robert G Parton, 2008, The EMBO journal.

Phase-field approach to implicit solvation of biomolecules with Coulomb-field approximation.

J Andrew McCammon, Jianwei Che, J. Mccammon, 2013, The Journal of chemical physics.

Binding of aminoglycoside antibiotics to the small ribosomal subunit: a continuum electrostatics investigation.

J Andrew McCammon, Nathan A Baker, Simpson Joseph, 2002, Journal of the American Chemical Society.

The entropic cost of protein-protein association: a case study on acetylcholinesterase binding to fasciculin-2.

David D L Minh, David D. L. Minh, J Andrew McCammon, 2005, Biophysical journal.

Computer-aided drug design guided by hydrogen/deuterium exchange mass spectrometry: A powerful combination for the development of potent and selective inhibitors of Group VIA calcium-independent phospholipase A2.

J Andrew McCammon, Varnavas D. Mouchlis, Sheng Li, 2016, Bioorganic & medicinal chemistry.

Large conformational changes in proteins: signaling and other functions.

J Andrew McCammon, Barry J Grant, J. Mccammon, 2010, Current opinion in structural biology.

Studying enzyme binding specificity in acetylcholinesterase using a combined molecular dynamics and multiple docking approach.

J Andrew McCammon, Yingkai Zhang, J. Mccammon, 2002, Journal of the American Chemical Society.

Finite element analysis of the time-dependent Smoluchowski equation for acetylcholinesterase reaction rate calculations.

Nathan A. Baker, Stephen D. Bond, J Andrew McCammon, 2007, Biophysical journal.

A dynamic model of HIV integrase inhibition and drug resistance.

Garrett M Morris, J Andrew McCammon, Stefano Forli, 2010, Journal of molecular biology.

Discovery of Novel Inhibitors of HIV‐1 Reverse Transcriptase Through Virtual Screening of Experimental and Theoretical Ensembles

J Andrew McCammon, Stephen H Hughes, Anthony Ivetac, 2014, Chemical biology & drug design.

Role of the catalytic triad and oxyanion hole in acetylcholinesterase catalysis: an ab initio QM/MM study.

J Andrew McCammon, Yingkai Zhang, J. Mccammon, 2002, Journal of the American Chemical Society.

Multiple pathways guide oxygen diffusion into flavoenzyme active sites

J Andrew McCammon, Conor Riley, Riccardo Baron, 2009, Proceedings of the National Academy of Sciences.

Comparative molecular dynamics simulations of the antimicrobial peptide CM15 in model lipid bilayers.

J Andrew McCammon, Yi Wang, Diana E Schlamadinger, 2012, Biochimica et biophysica acta.

Conformational selection in G-proteins: lessons from Ras and Rho.

J Andrew McCammon, Barry J Grant, J. Mccammon, 2010, Biophysical journal.

Molecular docking of balanol to dynamics snapshots of protein kinase A

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

Flap opening dynamics in HIV-1 protease explored with a coarse-grained model.

Joanna Trylska, J Andrew McCammon, Valentina Tozzini, 2007, Journal of structural biology.

Hybrid finite element and Brownian dynamics method for diffusion-controlled reactions.

J Andrew McCammon, J. Mccammon, Patricia Bauler, 2012, The Journal of chemical physics.

Studying the roles of W86, E202, and Y337 in binding of acetylcholine to acetylcholinesterase using a combined molecular dynamics and multiple docking approach

J Andrew McCammon, Yingkai Zhang, J. Mccammon, 2003, Protein science : a publication of the Protein Society.

Electrostatic interactions.

Nathan A. Baker, J Andrew McCammon, Nathan A Baker, 2003, Methods of biochemical analysis.

Computation of electrostatic forces between solvated molecules determined by the Poisson-Boltzmann equation using a boundary element method.

Benzhuo Lu, J Andrew McCammon, Deqiang Zhang, 2005, The Journal of chemical physics.

AutoGrow 3.0: an improved algorithm for chemically tractable, semi-automated protein inhibitor design.

J Andrew McCammon, Steffen Lindert, Jacob D Durrant, 2013, Journal of molecular graphics & modelling.

Properties of water molecules in the active site gorge of acetylcholinesterase from computer simulation.

Kaihsu Tai, J Andrew McCammon, Tongye Shen, 2002, Biophysical journal.

Dynamics, hydration, and motional averaging of a loop-gated artificial protein cavity: the W191G mutant of cytochrome c peroxidase in water as revealed by molecular dynamics simulations.

J Andrew McCammon, Riccardo Baron, J. Mccammon, 2007, Biochemistry.

The dynamic structure of thrombin in solution.

J Andrew McCammon, Elizabeth A Komives, J. Mccammon, 2012, Biophysical journal.

Solutions to a reduced Poisson-Nernst-Planck system and determination of reaction rates.

Benzhuo Lu, J Andrew McCammon, Bo Li, 2010, Physica A.

Generalized Born model with a simple, robust molecular volume correction.

J Andrew McCammon, Carlos Simmerling, John Mongan, 2007, Journal of chemical theory and computation.

Finite element simulations of acetylcholine diffusion in neuromuscular junctions.

Kaihsu Tai, Nathan A. Baker, Stephen D. Bond, 2003, Biophysical journal.

Remarkable loop flexibility in avian influenza N1 and its implications for antiviral drug design.

Jung-Hsin Lin, David D L Minh, Rommie E. Amaro, 2007, Journal of the American Chemical Society.

Molecular dynamics of acetylcholinesterase.

Kaihsu Tai, J Andrew McCammon, Tongye Shen, 2002, Accounts of chemical research.

Protospacer Adjacent Motif-Induced Allostery Activates CRISPR-Cas9

J Andrew McCammon, Giulia Palermo, Victor S Batista, 2017, Journal of the American Chemical Society.

Dynamics of Plasmodium falciparum enoyl‐ACP reductase and implications on drug discovery

J Andrew McCammon, Steffen Lindert, S. Lindert, 2012, Protein science : a publication of the Protein Society.

Generalized gradient-augmented harmonic Fourier beads method with multiple atomic and/or center-of-mass positional restraints.

J Andrew McCammon, J. Mccammon, I. Khavrutskii, 2007, The Journal of chemical physics.

Continuum simulations of acetylcholine diffusion with reaction-determined boundaries in neuromuscular junction models.

Stephen D. Bond, J Andrew McCammon, Zoran Radić, 2007, Biophysical chemistry.

Modeling HIV-1 integrase complexes based on their hydrodynamic properties.

J Andrew McCammon, Frederic D Bushman, Kui Gao, 2003, Biopolymers.

Activation and dynamic network of the M2 muscarinic receptor

J Andrew McCammon, Yinglong Miao, Sara E Nichols, 2013, Proceedings of the National Academy of Sciences.

“Martinizing” the Variational Implicit Solvent Method (VISM): Solvation Free Energy for Coarse-Grained Proteins

Li-Tien Cheng, J Andrew McCammon, Bo Li, 2017, The journal of physical chemistry. B.

Bridging implicit and explicit solvent approaches for membrane electrostatics.

Jung-Hsin Lin, Nathan A. Baker, J Andrew McCammon, 2002, Biophysical journal.

Standard free energy of releasing a localized water molecule from the binding pockets of proteins: double-decoupling method.

Donald Hamelberg, J Andrew McCammon, J. Mccammon, 2004, Journal of the American Chemical Society.

Computing accurate potentials of mean force in electrolyte solutions with the generalized gradient-augmented harmonic Fourier beads method.

J Andrew McCammon, Joachim Dzubiella, J. Mccammon, 2008, The Journal of chemical physics.

Statistical mechanics and molecular dynamics in evaluating thermodynamic properties of biomolecular recognition

J Andrew McCammon, Jeff Wereszczynski, J. Mccammon, 2011, Quarterly Reviews of Biophysics.

Binding of aminoglycosidic antibiotics to the oligonucleotide A-site model and 30S ribosomal subunit: Poisson-Boltzmann model, thermal denaturation, and fluorescence studies.

Joanna Trylska, J Andrew McCammon, Yitzhak Tor, 2006, Journal of medicinal chemistry.

The role of hydrogen bonding in the enzymatic reaction catalyzed by HIV‐1 protease

Joanna Trylska, J Andrew McCammon, J. Mccammon, 2004, Protein science : a publication of the Protein Society.

Barriers to ion translocation in cationic and anionic receptors from the Cys-loop family.

Xiaolin Cheng, J Andrew McCammon, J. Mccammon, 2007, Journal of the American Chemical Society.

Brownian dynamics study of the association between the 70S ribosome and elongation factor G

Joanna Trylska, J Andrew McCammon, J. Mccammon, 2011, Biopolymers.

Potent, selective pyrone-based inhibitors of stromelysin-1.

J Andrew McCammon, John Mongan, Seth M Cohen, 2005, Journal of the American Chemical Society.

Agonist-mediated Conformational Changes in Acetylcholine-binding Protein Revealed by Simulation and Intrinsic Tryptophan Fluorescence*

J Andrew McCammon, Palmer Taylor, Richard H. Henchman, 2005, Journal of Biological Chemistry.

Configurational‐bias sampling technique for predicting side‐chain conformations in proteins

J Andrew McCammon, David S Cerutti, Tushar Jain, 2006, Protein science : a publication of the Protein Society.

Antibacterial drug leads targeting isoprenoid biosynthesis

William Sinko, J Andrew McCammon, Steffen Lindert, 2012, Proceedings of the National Academy of Sciences.

Electrostatic interaction between RNA and protein capsid in cowpea chlorotic mottle virus simulated by a coarse‐grain RNA model and a Monte Carlo approach

Nathan A. Baker, J Andrew McCammon, Robert Konecny, 2004, Biopolymers.

Elucidating the inhibition mechanism of HIV-1 non-nucleoside reverse transcriptase inhibitors through multicopy molecular dynamics simulations.

J Andrew McCammon, Anthony Ivetac, J. Mccammon, 2009, Journal of molecular biology.

HIV-1 protease substrate binding and product release pathways explored with coarse-grained molecular dynamics.

Joanna Trylska, J Andrew McCammon, Valentina Tozzini, 2007, Biophysical journal.

A proposed signaling motif for nuclear import in mRNA processing via the formation of arginine claw

Donald Hamelberg, J Andrew McCammon, Tongye Shen, 2007, Proceedings of the National Academy of Sciences.

"New-version-fast-multipole-method" accelerated electrostatic interactions in biomolecular systems.

Benzhuo Lu, Xiaolin Cheng, J Andrew McCammon, 2007, Journal of computational physics.

A molecular dynamics ensemble-based approach for the mapping of druggable binding sites.

J Andrew McCammon, Anthony Ivetac, J. Mccammon, 2012, Methods in molecular biology.

The oxygen-binding vs. oxygen-consuming paradigm in biocatalysis: structural biology and biomolecular simulation.

J Andrew McCammon, Riccardo Baron, Andrea Mattevi, 2009, Current opinion in structural biology.

Unraveling the three-metal-ion catalytic mechanism of the DNA repair enzyme endonuclease IV

John A Tainer, J Andrew McCammon, J. Mccammon, 2007, Proceedings of the National Academy of Sciences.

Target flexibility in molecular recognition.

J Andrew McCammon, J. Mccammon, J. McCammon, 2005, Biochimica et biophysica acta.

Modelling cardiac calcium sparks in a three‐dimensional reconstruction of a calcium release unit

Zeyun Yu, Masahiko Hoshijima, J Andrew McCammon, 2012, The Journal of physiology.

The role of conserved water molecules in the catalytic domain of protein kinases

Donald Hamelberg, J Andrew McCammon, James D R Knight, 2009, Proteins.

Simulations of the p97 complex suggest novel conformational states of hydrolysis intermediates

J Andrew McCammon, Jeff Wereszczynski, J. Mccammon, 2012, Protein science : a publication of the Protein Society.

Limitations of atom-centered dielectric functions in implicit solvent models.

J Andrew McCammon, Jessica M J Swanson, John Mongan, 2005, The journal of physical chemistry. B.

Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site

J Andrew McCammon, Steffen Lindert, Wei Zhu, 2014, Proceedings of the National Academy of Sciences.

Fast peptidyl cis-trans isomerization within the flexible Gly-rich flaps of HIV-1 protease.

Donald Hamelberg, J Andrew McCammon, 2005, Journal of the American Chemical Society.

Molecular surface-free continuum model for electrodiffusion processes.

Benzhuo Lu, J Andrew McCammon, B. Lu, 2008, Chemical physics letters.

Continuum simulations of acetylcholine consumption by acetylcholinesterase: a Poisson-Nernst-Planck approach.

Benzhuo Lu, J Andrew McCammon, J. Mccammon, 2008, The journal of physical chemistry. B.

The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme.

Jung-Hsin Lin, J Andrew McCammon, Alexander L Perryman, 2003, Biopolymers.