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Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins

Journal of chemical theory and computation, 2013-09, Vol.9 (9), p.4046-4063

2013

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AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids

Journal of chemical theory and computation, 2018-04, Vol.14 (4), p.2084-2108

2018

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Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model

The journal of physical chemistry. B, 2015-07, Vol.119 (29), p.9423-9437

2015

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Polarizable Water Potential Derived from a Model Electron Density

Journal of chemical theory and computation, 2021-11, Vol.17 (11), p.7056-7084

2021

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Polarizable Atomic Multipole Water Model for Molecular Mechanics Simulation

The journal of physical chemistry. B, 2003-06, Vol.107 (24), p.5933-5947

2003

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Current Status of the AMOEBA Polarizable Force Field

The journal of physical chemistry. B, 2010-03, Vol.114 (8), p.2549-2564

2010

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A valence bond model for aqueous Cu(II) and Zn(II) ions in the AMOEBA polarizable force field

Journal of computational chemistry, 2013-04, Vol.34 (9), p.739-749

2013

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Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations

Journal of computational chemistry, 2002-12, Vol.23 (16), p.1497-1506

2002

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Polarizable Atomic Multipole-Based Molecular Mechanics for Organic Molecules

Journal of chemical theory and computation, 2011-10, Vol.7 (10), p.3143-3161

2011

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A structural basis for lithium and substrate binding of an inositide phosphatase

The Journal of biological chemistry, 2021-01, Vol.296, p.100059-100059, Article 100059

2021

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High-resolution crystal structures of protein helices reconciled with three-centered hydrogen bonds and multipole electrostatics

PloS one, 2015-04, Vol.10 (4), p.e0123146-e0123146

2015

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Classical Pauli repulsion: An anisotropic, atomic multipole model

The Journal of chemical physics, 2019-02, Vol.150 (8), p.084104-084104

2019

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Tinker 8: Software Tools for Molecular Design

Journal of chemical theory and computation, 2018-10, Vol.14 (10), p.5273-5289

2018

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Beyond isotropic repulsion: Classical anisotropic repulsion by inclusion of p orbitals

The Journal of chemical physics, 2024-05, Vol.160 (17)

2024

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MSCALE: A General Utility for Multiscale Modeling

Journal of chemical theory and computation, 2011-04, Vol.7 (4), p.1208-1219

2011

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AMOEBA binding free energies for the SAMPL7 TrimerTrip host–guest challenge

Journal of computer-aided molecular design, 2021-01, Vol.35 (1), p.79-93

2021

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Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields

Chemical science (Cambridge), 2018, Vol.9 (4), p.956-972

2018

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An optimized charge penetration model for use with the AMOEBA force field

Physical chemistry chemical physics : PCCP, 2016-12, Vol.19 (1), p.276-291

2016

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Systematic Improvement of a Classical Molecular Model of Water

The journal of physical chemistry. B, 2013-08, Vol.117 (34), p.9956-9972

2013

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Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Multi-GPU Systems

Journal of chemical theory and computation, 2021-04, Vol.17 (4), p.2034-2053

2021

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Classical Exchange Polarization: An Anisotropic Variable Polarizability Model

The journal of physical chemistry. B, 2022-10, Vol.126 (39), p.7579-7594

2022

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Absolute binding free energies for the SAMPL6 cucurbit[8]uril host–guest challenge via the AMOEBA polarizable force field

Journal of computer-aided molecular design, 2018-10, Vol.32 (10), p.1087-1095

2018

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A physically grounded damped dispersion model with particle mesh Ewald summation

The Journal of chemical physics, 2018-08, Vol.149 (8), p.084115-084115

2018

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Analysis and Application of Potential Energy Smoothing and Search Methods for Global Optimization

The journal of physical chemistry. B, 1998-11, Vol.102 (48), p.9725-9742

1998

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General Model for Treating Short-Range Electrostatic Penetration in a Molecular Mechanics Force Field

Journal of chemical theory and computation, 2015-06, Vol.11 (6), p.2609-2618

2015

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Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins

AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids

Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model

Polarizable Water Potential Derived from a Model Electron Density

Polarizable Atomic Multipole Water Model for Molecular Mechanics Simulation

Current Status of the AMOEBA Polarizable Force Field

A valence bond model for aqueous Cu(II) and Zn(II) ions in the AMOEBA polarizable force field

Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculations

Polarizable Atomic Multipole-Based Molecular Mechanics for Organic Molecules

A structural basis for lithium and substrate binding of an inositide phosphatase

High-resolution crystal structures of protein helices reconciled with three-centered hydrogen bonds and multipole electrostatics

Classical Pauli repulsion: An anisotropic, atomic multipole model

Tinker 8: Software Tools for Molecular Design

Beyond isotropic repulsion: Classical anisotropic repulsion by inclusion of p orbitals

MSCALE: A General Utility for Multiscale Modeling

AMOEBA binding free energies for the SAMPL7 TrimerTrip host–guest challenge

Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields

An optimized charge penetration model for use with the AMOEBA force field

Systematic Improvement of a Classical Molecular Model of Water

Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Multi-GPU Systems

Classical Exchange Polarization: An Anisotropic Variable Polarizability Model

Absolute binding free energies for the SAMPL6 cucurbit[8]uril host–guest challenge via the AMOEBA polarizable force field

A physically grounded damped dispersion model with particle mesh Ewald summation

Analysis and Application of Potential Energy Smoothing and Search Methods for Global Optimization

General Model for Treating Short-Range Electrostatic Penetration in a Molecular Mechanics Force Field

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