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Matthew J L Mills

Showing results (1-10 of 18) with videos related to

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Journal of Chemical Theory and Computation|November 21, 2015
Electrostatic Forces: Formulas for the First Derivatives of a Polarizable, Anisotropic Electrostatic Potential Energy Function Based on Machine LearningMatthew J L Mills, Paul L A Popelier
Proceedings of the National Academy of Sciences of the United States of America|March 26, 2015
The entropic contributions in vitamin B12 enzymes still reflect the electrostatic paradigmPatrick Schopf, Matthew J L Mills, Arieh Warshel
Journal of Molecular Modeling|March 18, 2014
Multipolar electrostatics based on the Kriging machine learning method: an application to serineYongna Yuan, Matthew J L Mills, Paul L A Popelier
Journal of Computational Chemistry|January 23, 2014
Multipolar electrostatics for proteins: atom-atom electrostatic energies in crambinYongna Yuan, Matthew J L Mills, Paul L A Popelier
Journal of Chemical Information and Modeling|October 27, 2018
Assessing Force Field Potential Energy Function Accuracy via a Multipolar Description of Atomic Electrostatic Interactions in RNAYongna Yuan, Zhuangzhuang Zhang, Matthew J L Mills, et al.
The Journal of Physical Chemistry. B|January 27, 2015
On the challenge of exploring the evolutionary trajectory from phosphotriesterase to arylesterase using computer simulationsRam Prasad Bora, Matthew J L Mills, Maria P Frushicheva, et al.
Journal of Molecular Modeling|July 16, 2016
The role of OH…O and CH…O hydrogen bonds and H…H interactions in ethanol/methanol-water heterohexamersSol M Mejía, Juan F Espinal, Matthew J L Mills, et al.
The Journal of Physical Chemistry. A|August 2, 2014
Comprehensive analysis of energy minima of the 20 natural amino acidsYongna Yuan, Matthew J L Mills, Paul L A Popelier, et al.
Journal of Molecular Modeling|March 20, 2015
Understanding the azeotropic diethyl carbonate-water mixture by structural and energetic characterization of DEC(H2O)(n) heteroclustersJuan D Ripoll, Sol M Mejía, Matthew J L Mills, et al.
Physical Chemistry Chemical Physics : PCCP|September 26, 2013
Unified approach to multipolar polarisation and charge transfer for ions: microhydrated Na+Matthew J L Mills, Glenn I Hawe, Christopher M Handley, et al.
Pageof 2

Showing results (1-10 of 18) with videos related to

Sort By:
Pageof 2
Journal of Chemical Theory and Computation|November 21, 2015
Electrostatic Forces: Formulas for the First Derivatives of a Polarizable, Anisotropic Electrostatic Potential Energy Function Based on Machine LearningMatthew J L Mills, Paul L A Popelier
Proceedings of the National Academy of Sciences of the United States of America|March 26, 2015
The entropic contributions in vitamin B12 enzymes still reflect the electrostatic paradigmPatrick Schopf, Matthew J L Mills, Arieh Warshel
Journal of Molecular Modeling|March 18, 2014
Multipolar electrostatics based on the Kriging machine learning method: an application to serineYongna Yuan, Matthew J L Mills, Paul L A Popelier
Journal of Computational Chemistry|January 23, 2014
Multipolar electrostatics for proteins: atom-atom electrostatic energies in crambinYongna Yuan, Matthew J L Mills, Paul L A Popelier
Journal of Chemical Information and Modeling|October 27, 2018
Assessing Force Field Potential Energy Function Accuracy via a Multipolar Description of Atomic Electrostatic Interactions in RNAYongna Yuan, Zhuangzhuang Zhang, Matthew J L Mills, et al.
The Journal of Physical Chemistry. B|January 27, 2015
On the challenge of exploring the evolutionary trajectory from phosphotriesterase to arylesterase using computer simulationsRam Prasad Bora, Matthew J L Mills, Maria P Frushicheva, et al.
Journal of Molecular Modeling|July 16, 2016
The role of OH…O and CH…O hydrogen bonds and H…H interactions in ethanol/methanol-water heterohexamersSol M Mejía, Juan F Espinal, Matthew J L Mills, et al.
The Journal of Physical Chemistry. A|August 2, 2014
Comprehensive analysis of energy minima of the 20 natural amino acidsYongna Yuan, Matthew J L Mills, Paul L A Popelier, et al.
Journal of Molecular Modeling|March 20, 2015
Understanding the azeotropic diethyl carbonate-water mixture by structural and energetic characterization of DEC(H2O)(n) heteroclustersJuan D Ripoll, Sol M Mejía, Matthew J L Mills, et al.
Physical Chemistry Chemical Physics : PCCP|September 26, 2013
Unified approach to multipolar polarisation and charge transfer for ions: microhydrated Na+Matthew J L Mills, Glenn I Hawe, Christopher M Handley, et al.
Pageof 2