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Mike Devereux

Showing results (1-10 of 20) with videos related to

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Current Topics in Medicinal Chemistry|March 27, 2010
In silico techniques for the identification of bioisosteric replacements for drug designMike Devereux, Paul L A Popelier
The Journal of Chemical Physics|November 4, 2017
Minimal distributed charges: Multipolar quality at the cost of point charge electrostaticsOliver T Unke, Mike Devereux, Markus Meuwly
Journal of Chemical Theory and Computation|November 8, 2022
Molecular Dynamics with Conformationally Dependent, Distributed ChargesEric D Boittier, Mike Devereux, Markus Meuwly
Journal of Computational Chemistry|May 2, 2024
Systematic improvement of empirical energy functions in the era of machine learningMike Devereux, Eric D Boittier, Markus Meuwly
Journal of Chemical Theory and Computation|November 27, 2020
Polarizable Multipolar Molecular Dynamics Using Distributed Point ChargesMike Devereux, Marco Pezzella, Shampa Raghunathan, et al.
The Journal of Organic Chemistry|April 5, 2019
Molecular Ansa-Basket: Synthesis of Inherently Chiral All-Carbon [12](1,6)PyrenophaneRajesh Mannancherry, Mike Devereux, Daniel Häussinger, et al.
Journal of Chemical Theory and Computation|September 4, 2024
Kernel-Based Minimal Distributed Charges: A Conformationally Dependent ESP-Model for Molecular SimulationsEric Boittier, Kai Töpfer, Mike Devereux, et al.
Journal of Chemical Theory and Computation|November 21, 2015
A Novel, Computationally Efficient Multipolar Model Employing Distributed Charges for Molecular Dynamics SimulationsMike Devereux, Shampa Raghunathan, Dmitri G Fedorov, et al.
Physical Chemistry Chemical Physics : PCCP|February 26, 2009
A refined model for prediction of hydrogen bond acidity and basicity parameters from quantum chemical molecular descriptorsMike Devereux, Paul L A Popelier, Iain M McLay
Journal of Computational Chemistry|June 27, 2014
A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force fieldMike Devereux, Nohad Gresh, Jean-Philip Piquemal, et al.
Pageof 2

Showing results (1-10 of 20) with videos related to

Sort By:
Pageof 2
Current Topics in Medicinal Chemistry|March 27, 2010
In silico techniques for the identification of bioisosteric replacements for drug designMike Devereux, Paul L A Popelier
The Journal of Chemical Physics|November 4, 2017
Minimal distributed charges: Multipolar quality at the cost of point charge electrostaticsOliver T Unke, Mike Devereux, Markus Meuwly
Journal of Chemical Theory and Computation|November 8, 2022
Molecular Dynamics with Conformationally Dependent, Distributed ChargesEric D Boittier, Mike Devereux, Markus Meuwly
Journal of Computational Chemistry|May 2, 2024
Systematic improvement of empirical energy functions in the era of machine learningMike Devereux, Eric D Boittier, Markus Meuwly
Journal of Chemical Theory and Computation|November 27, 2020
Polarizable Multipolar Molecular Dynamics Using Distributed Point ChargesMike Devereux, Marco Pezzella, Shampa Raghunathan, et al.
The Journal of Organic Chemistry|April 5, 2019
Molecular Ansa-Basket: Synthesis of Inherently Chiral All-Carbon [12](1,6)PyrenophaneRajesh Mannancherry, Mike Devereux, Daniel Häussinger, et al.
Journal of Chemical Theory and Computation|September 4, 2024
Kernel-Based Minimal Distributed Charges: A Conformationally Dependent ESP-Model for Molecular SimulationsEric Boittier, Kai Töpfer, Mike Devereux, et al.
Journal of Chemical Theory and Computation|November 21, 2015
A Novel, Computationally Efficient Multipolar Model Employing Distributed Charges for Molecular Dynamics SimulationsMike Devereux, Shampa Raghunathan, Dmitri G Fedorov, et al.
Physical Chemistry Chemical Physics : PCCP|February 26, 2009
A refined model for prediction of hydrogen bond acidity and basicity parameters from quantum chemical molecular descriptorsMike Devereux, Paul L A Popelier, Iain M McLay
Journal of Computational Chemistry|June 27, 2014
A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force fieldMike Devereux, Nohad Gresh, Jean-Philip Piquemal, et al.
Pageof 2