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Journal of Computational Chemistry
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October 7, 2010
Multipole electrostatics in hydration free energy calculations
Yue Shi, Chuanjie Wu, Jay W Ponder, et al.
Journal of Computer-Aided Molecular Design
|
November 3, 2020
AMOEBA binding free energies for the SAMPL7 TrimerTrip host-guest challenge
Yuanjun Shi, Marie L Laury, Zhi Wang, et al.
The Journal of Chemical Physics
|
September 9, 2018
A physically grounded damped dispersion model with particle mesh Ewald summation
Joshua A Rackers, Chengwen Liu, Pengyu Ren, et al.
Journal of the American Chemical Society
|
September 1, 2012
Molecular dynamics of β-hairpin models of epigenetic recognition motifs
Xiange Zheng, Chuanjie Wu, Jay W Ponder, et al.
The Journal of Chemical Physics
|
April 7, 2007
Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum
Michael J Schnieders, Nathan A Baker, Pengyu Ren, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Polarizable Multipole-Based Force Field for Dimethyl and Trimethyl Phosphate
Changsheng Zhang, Chao Lu, Qiantao Wang, et al.
Journal of Chemical Theory and Computation
|
October 26, 2021
Polarizable Water Potential Derived from a Model Electron Density
Joshua A Rackers, Roseane R Silva, Zhi Wang, et al.
Journal of Computer-Aided Molecular Design
|
October 17, 2018
Absolute binding free energies for the SAMPL6 cucurbit[8]uril host-guest challenge via the AMOEBA polarizable force field
Marie L Laury, Zhi Wang, Aaron S Gordon, et al.
The Journal of Physical Chemistry. B
|
August 25, 2025
Chain Formation and Addition Drive the Debye Relaxation of Methanol
Rebecca A Bone, Moses K J Chung, Jay W Ponder, et al.
The Journal of Chemical Physics
|
November 3, 2016
An empirical extrapolation scheme for efficient treatment of induced dipoles
Andrew C Simmonett, Frank C Pickard, Jay W Ponder, et al.
Page
of 5
Search research articles
Search
Showing results (11-20 of 49) with videos related to
Sort By:
Page
of 5
Journal of Computational Chemistry
|
October 7, 2010
Multipole electrostatics in hydration free energy calculations
Yue Shi, Chuanjie Wu, Jay W Ponder, et al.
Journal of Computer-Aided Molecular Design
|
November 3, 2020
AMOEBA binding free energies for the SAMPL7 TrimerTrip host-guest challenge
Yuanjun Shi, Marie L Laury, Zhi Wang, et al.
The Journal of Chemical Physics
|
September 9, 2018
A physically grounded damped dispersion model with particle mesh Ewald summation
Joshua A Rackers, Chengwen Liu, Pengyu Ren, et al.
Journal of the American Chemical Society
|
September 1, 2012
Molecular dynamics of β-hairpin models of epigenetic recognition motifs
Xiange Zheng, Chuanjie Wu, Jay W Ponder, et al.
The Journal of Chemical Physics
|
April 7, 2007
Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum
Michael J Schnieders, Nathan A Baker, Pengyu Ren, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Polarizable Multipole-Based Force Field for Dimethyl and Trimethyl Phosphate
Changsheng Zhang, Chao Lu, Qiantao Wang, et al.
Journal of Chemical Theory and Computation
|
October 26, 2021
Polarizable Water Potential Derived from a Model Electron Density
Joshua A Rackers, Roseane R Silva, Zhi Wang, et al.
Journal of Computer-Aided Molecular Design
|
October 17, 2018
Absolute binding free energies for the SAMPL6 cucurbit[8]uril host-guest challenge via the AMOEBA polarizable force field
Marie L Laury, Zhi Wang, Aaron S Gordon, et al.
The Journal of Physical Chemistry. B
|
August 25, 2025
Chain Formation and Addition Drive the Debye Relaxation of Methanol
Rebecca A Bone, Moses K J Chung, Jay W Ponder, et al.
The Journal of Chemical Physics
|
November 3, 2016
An empirical extrapolation scheme for efficient treatment of induced dipoles
Andrew C Simmonett, Frank C Pickard, Jay W Ponder, et al.
Page
of 5