Ponder, Jay - Washington University in St. Louis

个人简介

2011-present, Associate Professor, Chemistry, Washington University 1999-2011, Associate Professor, Biochemistry & Molecular Biophysics, Washington University School of Medicine 1990-1999, Assistant Professor, Biochemistry & Molecular Biophysics, Washington University School of Medicine 1989-1990, Assistant Instructor, Molecular Biophysics & Biochemistry, Yale University 1985-1989, Postdoctoral Associate, Molecular Biophysics & Biochemistry, Yale University 1984-1985, Assistant Professor, Chemistry, Rice University

研究领域

Computational Chemistry,Molecular Mechanics; Molecular Dynamics Simulations,Development of Next-Generation Force Fields; Algorithms for Conformational Search;Prediction of Small Molecule Crystal Structures;Homology & ab Initio Models of Protein Structures.

近期论文

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Polarizable Atomic Multipole-based Molecular Mechanics for Organic Molecules, P. Ren, C. Wu and J. W. Ponder, J. Chem. Theory Comput., 7, xxx-xxx (2011) MSCALE: A General Utility for Multiscale Modeling, H. L. Woodcock, B. T. Miller, M. Hodoscek, A. Okur, J. D. Larkin, J. W. Ponder and B. R. Brooks, J. Chem. Theory Comput., 7, 1208-1219 (2011) Multipole Electrostatics in Hydration Free Energy Calculations, Y. Shi, C. Wu, J. W. Ponder and P. Ren, J. Chem. Comput., 32, 967-977 (2011) Current Status of the AMOEBA Polarizable Force Field, J. W. Ponder, C. Wu, P. Ren, V. S. Pande, J. D. Chodera, D. L. Mobley, M. J. Schnieders, I. Haque, D. S. Lambrecht, R. A. DiStasio, Jr., M. Head-Gordon, G. N. I. Clark, M. E. Johnson and T. Head-Gordon, J. Phys. Chem. B, 114, 2549-2564 (2010) Polarizable Atomic Multipole Solutes in a Generalized Kirkwood Continuum, M. J. Schnieders and J. W. Ponder, J. Chem. Theory Comput., 3, 2083-2097 (2007) Polarizable Atomic Multipole Solutes in a Poisson-Boltzmann Continuum, M. J. Schnieders, N. A. Baker, P. Ren and J. W. Ponder, J. Chem. Phys., 126, 124114 (2007) Force Field Modeling of Conformational Energies: Importance of Multipole Moments and Intramolecular Polarization, T. D. Rasmussen, P. Ren, J. W. Ponder and F. Jensen, Int. J. Quantum Chem., 107, 1390-1395 (2007) Temperature and Pressure Dependence of the AMOEBA Water Model, P. Ren and J. W. Ponder, J. Phys. Chem. B, 108, 13427-13437 (2004) Ion Solvation Thermodynamics from Simulation with a Polarizable Force Field, A. Grossfield, P. Ren and J. W. Ponder, J. Am. Chem. Soc., 125, 15671-15682 (2003) Force Fields for Protein Simulation, J. W. Ponder and D. A. Case, Adv. Prot. Chem., 66, 27-85 (2003) Polarizable Atomic Multipole Water Model for Molecular Mechanics Simulation, P. Ren and J. W. Ponder, J. Phys. Chem. B, 107, 5933-5947 (2003) A Consistent Treatment of Inter- and Intramolecular Polarization in Molecular Mechanics Calculations, P. Ren and J. W. Ponder, J. Comput. Chem., 23, 1497-1506 (2002)