Jay W. Ponder

Orcid: 0000-0001-5450-9230

According to our database1, Jay W. Ponder authored at least 14 papers between 1995 and 2023.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Bibliography

2023
Accurate Host-Guest Binding Free Energies Using the AMOEBA Polarizable Force Field.
J. Chem. Inf. Model., May, 2023

2021
AMOEBA binding free energies for the SAMPL7 TrimerTrip host-guest challenge.
J. Comput. Aided Mol. Des., 2021

2020
Tinker-HP : Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems.
CoRR, 2020

2019
Raising the Performance of the Tinker-HP Molecular Modeling Package on Intel's HPC Architectures: a Living Review [Article v1.0].
CoRR, 2019

2018
Absolute binding free energies for the SAMPL6 cucurbit[8]uril host-guest challenge via the AMOEBA polarizable force field.
J. Comput. Aided Mol. Des., 2018

2017
Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs.
J. Comput. Chem., 2017

2016
Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles.
J. Comput. Chem., 2016

Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and p<i>K</i> <sub>a</sub> corrections.
J. Comput. Aided Mol. Des., 2016

2013
A valence bond model for aqueous Cu(II) and Zn(II) ions in the AMOEBA polarizable force field.
J. Comput. Chem., 2013

2011
Multipole electrostatics in hydration free energy calculations.
J. Comput. Chem., 2011

2002
Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations.
J. Comput. Chem., 2002

2000
Exploring the similarities between potential smoothing and simulated annealing.
J. Comput. Chem., 2000

1998
Protein structure prediction using a combination of sequence homology and global energy minimization: II. Energy functions.
J. Comput. Chem., 1998

1995
Accurate Modeling of the Intramolecular Electrostaric Energy of Proteins.
J. Comput. Chem., 1995


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