- Jay W. Ponder and Frederic M. Richards Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut 06511
- Global Optimization via a Modified Potential Smoothing Kernel
- Force Field Modeling of Conformational Energies: Importance of Multipole
- Hierarchical Conformational Scanning Using Potential Smoothing. Application to Cycloheptadecane.
- Current Status of the AMOEBA Polarizable Force Field Jay W. Ponder and Chuanjie Wu
- Published: March 25, 2011 r 2011 American Chemical Society 1208 dx.doi.org/10.1021/ct100738h |J. Chem. Theory Comput. 2011, 7, 12081219
- Internal Packing and Protein Structural Classes J.W. PONDERAND F.M. RICHARDS
- Calculation of the reaction field due to off-center point multipoles Yong Kong and Jay W. Ponder
- 13164 Biochemistry 1994,33, 13164-13171 Accelerated Publications
- Proc. Natl. Acad. Sci. USA Vol. 95, pp. 42704275, April 1998
- Tetrahedron Letters,Vol.25.No.lO,pD 1015-1018,1984 0040-4039/84 $3.00 + -00 P r i n t e d i n Great B r i t a i n 0 1 9 8 4 Pergamon Press Ltd.
- Multipole Electrostatics in Hydration Free Energy Calculations
- Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum Michael J. Schnieders
- FORCE FIELDS FOR PROTEIN SIMULATIONS By JAY W. PONDER* AND DAVID A. CASE
- Consistent Treatment of Inter-and Intramolecular Polarization in Molecular Mechanics Calculations
- 50 nature structural biology volume 6 number 1 january 1999 Understanding the nature of interactions between transmembrane
- The Structure and Dynamics of Rat Apo-Cellular Retinol-binding Protein II in Solution: Comparison
- Algorithms for Calculating Excluded Volume and Its Derivatives as a Function of Molecular Conformation and
- J. Mol. Biol. (1987) 193, 775-791 Tertiary Templates for Proteins
- T e t r a h e d r o n L e t t e r s 1 V o l . 2 5 , N o . 3 9 , p p 4325-4328,1984 0040-4039/84 $3.00 + -00 P r i n t e d i n G r e a t B r i t a i n 01984 Pergamon P r e s s L t d .
- Tetrahedron Letters Vol. 21, pp lZ7 -140 OPergamon Press Ltd. 1980. Printed i n Great Britain
- Robert M. Einterz, Jay W. Ponder, I The Synthesis of CMethyl-3-heptanol and
- WASHINGTON UNIVERSITY SCHOOL OF ENGINEERING AND APPLIED SCIENCES
- WASHINGTON UNIVERSITY Program in Molecular Biophysics
- WASHINGTON UNIVERSITY Department of Biochemistry and Molecular Biophysics
- Turn Scanning 133 From: Methods in Molecular Biology, vol. 168: Protein Structure, Stability, and Folding
- Polarizable Atomic Multipole Water Model for Molecular Mechanics Simulation Pengyu Ren and Jay W. Ponder*
- Accurate Modeling of the Intramolecular Electrostatic Energy of Proteins
- Type 2M von Willebrand Disease: F606I and I662F Mutations in the Glycoprotein Ib Binding Domain Selectively Impair Ristocetin-but not Botrocetin-Mediated
- Protein Structure Prediction Using a Combination of Sequence Homology
- J. Mol. Biol. (1996) 264, 585602 The NMR Solution Structure of Intestinal Fatty
- Binding of Retinol Induces Changes in Rat Cellular Retinol-binding Protein II Conformation and
- Temperature and Pressure Dependence of the AMOEBA Water Model Pengyu Ren and Jay W. Ponder*
- J. Mol. Biol. (1994)236, 584-589 Crystallization and Initial X-ray Crystallographic
- Exploring the Similarities between Potential Smoothing and
- 4594 eJ. Org. Chem., Vol. 44, No. 25, 1979 Rabideau et al. Metal-Ammonia Reduction of Triptycene and Related Benzobarrelene
- THEJOURNALOF BIOLOGICALCHEMISTRY 0 1993by The American Society for Biochemistry and MolecularBiology, Inc.
- Polarizable Atomic Multipole Solutes in a Generalized Kirkwood Continuum
- r XXXX American Chemical Society A dx.doi.org/10.1021/ct200304d |J. Chem. Theory Comput. XXXX, XXX, 000000 pubs.acs.org/JCTC
- Supporting Information: AMOEBA Force Field Parameterization Protocol
- Published: August 31, 2011 r 2011 American Chemical Society 3143 dx.doi.org/10.1021/ct200304d |J. Chem. Theory Comput. 2011, 7, 31433161
