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Journal of Chemical Theory and Computation
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November 24, 2015
Improving the Prediction of Absolute Solvation Free Energies Using the Next Generation OPLS Force Field
Devleena Shivakumar, Edward Harder, Wolfgang Damm, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field
Devleena Shivakumar, Joshua Williams, Yujie Wu, et al.
Biophysical Journal
|
January 24, 2007
Explicit-solvent molecular dynamics simulations of the polysaccharide schizophyllan in water
David B Kony, Wolfgang Damm, Serge Stoll, et al.
Scientific Reports
|
December 21, 2017
High Energy Density in Azobenzene-based Materials for Photo-Thermal Batteries via Controlled Polymer Architecture and Polymer-Solvent Interactions
Seung Pyo Jeong, Lawrence A Renna, Connor J Boyle, et al.
Journal of Chemical Theory and Computation
|
September 10, 2020
Advancing Free-Energy Calculations of Metalloenzymes in Drug Discovery via Implementation of LFMM Potentials
Steven Dajnowicz, Delaram Ghoreishi, Kalyan Modugula, et al.
Journal of Chemical Theory and Computation
|
December 8, 2015
A Polarizable Force Field and Continuum Solvation Methodology for Modeling of Protein-Ligand Interactions
Jon R Maple, Yixiang Cao, Wolfgang Damm, et al.
Journal of Chemical Information and Modeling
|
January 30, 2025
Accurate Physics-Based Prediction of Binding Affinities of RNA- and DNA-Targeting Ligands
Ara M Abramyan, Anna Bochicchio, Chuanjie Wu, et al.
Journal of Chemical Theory and Computation
|
February 16, 2019
OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules
Katarina Roos, Chuanjie Wu, Wolfgang Damm, et al.
Journal of Chemical Theory and Computation
|
June 7, 2021
OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space
Chao Lu, Chuanjie Wu, Delaram Ghoreishi, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Edward Harder, Wolfgang Damm, Jon Maple, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
November 24, 2015
Improving the Prediction of Absolute Solvation Free Energies Using the Next Generation OPLS Force Field
Devleena Shivakumar, Edward Harder, Wolfgang Damm, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field
Devleena Shivakumar, Joshua Williams, Yujie Wu, et al.
Biophysical Journal
|
January 24, 2007
Explicit-solvent molecular dynamics simulations of the polysaccharide schizophyllan in water
David B Kony, Wolfgang Damm, Serge Stoll, et al.
Scientific Reports
|
December 21, 2017
High Energy Density in Azobenzene-based Materials for Photo-Thermal Batteries via Controlled Polymer Architecture and Polymer-Solvent Interactions
Seung Pyo Jeong, Lawrence A Renna, Connor J Boyle, et al.
Journal of Chemical Theory and Computation
|
September 10, 2020
Advancing Free-Energy Calculations of Metalloenzymes in Drug Discovery via Implementation of LFMM Potentials
Steven Dajnowicz, Delaram Ghoreishi, Kalyan Modugula, et al.
Journal of Chemical Theory and Computation
|
December 8, 2015
A Polarizable Force Field and Continuum Solvation Methodology for Modeling of Protein-Ligand Interactions
Jon R Maple, Yixiang Cao, Wolfgang Damm, et al.
Journal of Chemical Information and Modeling
|
January 30, 2025
Accurate Physics-Based Prediction of Binding Affinities of RNA- and DNA-Targeting Ligands
Ara M Abramyan, Anna Bochicchio, Chuanjie Wu, et al.
Journal of Chemical Theory and Computation
|
February 16, 2019
OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules
Katarina Roos, Chuanjie Wu, Wolfgang Damm, et al.
Journal of Chemical Theory and Computation
|
June 7, 2021
OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space
Chao Lu, Chuanjie Wu, Delaram Ghoreishi, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Edward Harder, Wolfgang Damm, Jon Maple, et al.
Page
of 2