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Omar Demerdash

Showing results (1-10 of 15) with videos related to

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Journal of Chemical Theory and Computation|July 13, 2016
Convergence of the Many-Body Expansion for Energy and Forces for Classical Polarizable Models in the Condensed PhaseOmar Demerdash, Teresa Head-Gordon
The Journal of Chemical Physics|November 9, 2015
An efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual inductionAlex Albaugh, Omar Demerdash, Teresa Head-Gordon
Annual Review of Physical Chemistry|December 17, 2013
Advanced potential energy surfaces for condensed phase simulationOmar Demerdash, Eng-Hui Yap, Teresa Head-Gordon
Journal of Chemical Theory and Computation|October 7, 2016
Assessing Ion-Water Interactions in the AMOEBA Force Field Using Energy Decomposition Analysis of Electronic Structure CalculationsYuezhi Mao, Omar Demerdash, Martin Head-Gordon, et al.
Drug Discovery Today|January 21, 2024
Drugging the entire human proteome: Are we there yet?Micholas Dean Smith, L Darryl Quarles, Omar Demerdash, et al.
The Journal of Chemical Physics|November 4, 2017
Assessing many-body contributions to intermolecular interactions of the AMOEBA force field using energy decomposition analysis of electronic structure calculationsOmar Demerdash, Yuezhi Mao, Tianyi Liu, et al.
The Journal of Chemical Physics|June 1, 2023
Predictive understanding of the surface tension and velocity of sound in ionic liquids using machine learningMood Mohan, Micholas Dean Smith, Omar Demerdash, et al.
Biophysical Journal|October 14, 2025
Divergent responses of branched and straight-chain lipid membranes to butanol stress revealed by molecular dynamics simulationJoshua O Aggrey, Micholas Dean Smith, Omar Demerdash, et al.
Frontiers in Molecular Biosciences|September 3, 2019
Using Small-Angle Scattering Data and Parametric Machine Learning to Optimize Force Field Parameters for Intrinsically Disordered ProteinsOmar Demerdash, Utsab R Shrestha, Loukas Petridis, et al.
Biochimica Et Biophysica Acta. General Subjects|January 20, 2020
Prediction of peptide binding to MHC using machine learning with sequence and structure-based feature setsMichelle P Aranha, Catherine Spooner, Omar Demerdash, et al.
Pageof 2

Showing results (1-10 of 15) with videos related to

Sort By:
Pageof 2
Journal of Chemical Theory and Computation|July 13, 2016
Convergence of the Many-Body Expansion for Energy and Forces for Classical Polarizable Models in the Condensed PhaseOmar Demerdash, Teresa Head-Gordon
The Journal of Chemical Physics|November 9, 2015
An efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual inductionAlex Albaugh, Omar Demerdash, Teresa Head-Gordon
Annual Review of Physical Chemistry|December 17, 2013
Advanced potential energy surfaces for condensed phase simulationOmar Demerdash, Eng-Hui Yap, Teresa Head-Gordon
Journal of Chemical Theory and Computation|October 7, 2016
Assessing Ion-Water Interactions in the AMOEBA Force Field Using Energy Decomposition Analysis of Electronic Structure CalculationsYuezhi Mao, Omar Demerdash, Martin Head-Gordon, et al.
Drug Discovery Today|January 21, 2024
Drugging the entire human proteome: Are we there yet?Micholas Dean Smith, L Darryl Quarles, Omar Demerdash, et al.
The Journal of Chemical Physics|November 4, 2017
Assessing many-body contributions to intermolecular interactions of the AMOEBA force field using energy decomposition analysis of electronic structure calculationsOmar Demerdash, Yuezhi Mao, Tianyi Liu, et al.
The Journal of Chemical Physics|June 1, 2023
Predictive understanding of the surface tension and velocity of sound in ionic liquids using machine learningMood Mohan, Micholas Dean Smith, Omar Demerdash, et al.
Biophysical Journal|October 14, 2025
Divergent responses of branched and straight-chain lipid membranes to butanol stress revealed by molecular dynamics simulationJoshua O Aggrey, Micholas Dean Smith, Omar Demerdash, et al.
Frontiers in Molecular Biosciences|September 3, 2019
Using Small-Angle Scattering Data and Parametric Machine Learning to Optimize Force Field Parameters for Intrinsically Disordered ProteinsOmar Demerdash, Utsab R Shrestha, Loukas Petridis, et al.
Biochimica Et Biophysica Acta. General Subjects|January 20, 2020
Prediction of peptide binding to MHC using machine learning with sequence and structure-based feature setsMichelle P Aranha, Catherine Spooner, Omar Demerdash, et al.
Pageof 2