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STORMM: Structure and topology replica molecular mechanics for chemical simulationsJOURNAL OF CHEMICAL PHYSICSIF3.12024-07-150OA
A twist in the road less traveled: The AMBER ff15ipq-m force field for protein mimeticsJOURNAL OF CHEMICAL PHYSICSIF3.12020-08-1017OAAI
Fast Implementation of the Nudged Elastic Band Method in AMBERJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52019-07-1720OAAI
Molecular dynamics simulations of macromolecular crystalsWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCEIF272018-11-1629OAAI
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New FeaturesJOURNAL OF CHEMICAL INFORMATION AND MODELINGIF5.32018-09-10342OAAI
Links between the charge model and bonded parameter force constants in biomolecular force fieldsJOURNAL OF CHEMICAL PHYSICSIF3.12017-10-043OAAI
On the fly estimation of host-guest binding free energies using the movable type method: participation in the SAMPL5 blind challengeJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGNIF3.12016-10-0316PREAI
Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical ModelJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52016-07-22170OAAI
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and ProteinsOPLS3: 广泛覆盖药物小分子和蛋白质的力场JOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52015-12-012.5KPRE
ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of ProteinsJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52014-10-0297OAAI
Peptide Crystal Simulations Reveal Hidden DynamicsJOURNAL OF THE AMERICAN CHEMICAL SOCIETYIF15.62013-05-1644OA
Alchemical prediction of hydration free energies for SAMPLSAMPL水合自由能的炼金术预测JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGNIF3.12011-12-2480OAAI
Multi-Level Ewald: A Hybrid Multigrid/Fast Fourier Transform Approach to the Electrostatic Particle-Mesh ProblemJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52009-12-2930OAAI
Staggered Mesh Ewald: An Extension of the Smooth Particle-Mesh Ewald Method Adding Great VersatilityJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52009-08-04134OA
A Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen DynamicsJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52008-09-1076OAAI
Solvent reaction field potential inside an uncharged globular protein: A bridge between implicit and explicit solvent models?JOURNAL OF CHEMICAL PHYSICSIF3.12007-10-1542OAAI
Rapid estimation of solvation energy for simulations of protein-protein associationJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52004-11-2416PREAI
Brownian dynamics simulations of ion atmospheres around polyalanine and B-DNA: Effects of biomolecular dielectricBIOPOLYMERSIF3.22003-10-0111OAAI