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Journal of Molecular Graphics & Modelling
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June 12, 2003
Analysis and optimization of structure-based virtual screening protocols (1): exploration of ligand conformational sampling techniques
Andrew C Good, Daniel L Cheney
The Journal of Chemical Physics
|
July 9, 2021
Cartesian message passing neural networks for directional properties: Fast and transferable atomic multipoles
Zachary L Glick, Alexios Koutsoukas, Daniel L Cheney, et al.
Journal of Chemical Theory and Computation
|
May 16, 2018
Assessment of Density Functional Methods for Geometry Optimization of Bimolecular van der Waals Complexes
Dominic A Sirianni, Asem Alenaizan, Daniel L Cheney, et al.
The Journal of Chemical Physics
|
August 27, 2025
Levels of symmetry-adapted perturbation theory (SAPT). II. Convergence of interaction energy components
Jeffrey B Schriber, Austin M Wallace, Daniel L Cheney, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 6, 2017
The Surprising Importance of Peptide Bond Contacts in Drug-Protein Interactions
Robert M Parrish, Doree F Sitkoff, Daniel L Cheney, et al.
The Journal of Chemical Physics
|
May 21, 2022
The influence of a solvent environment on direct non-covalent interactions between two molecules: A symmetry-adapted perturbation theory study of polarization tuning of π-π interactions by water
Dominic A Sirianni, Xiao Zhu, Doree F Sitkoff, et al.
The Journal of Chemical Physics
|
October 3, 2024
Electrostatically embedded symmetry-adapted perturbation theory
Caroline S Glick, Asem Alenaizan, Daniel L Cheney, et al.
The Journal of Chemical Physics
|
June 23, 2023
A quantitative assessment of deformation energy in intermolecular interactions: How important is it?
Caroline T Sargent, Raina Kasera, Zachary L Glick, et al.
Journal of Chemical Information and Modeling
|
September 19, 2014
Macrocycle conformational sampling with MacroModel
K Shawn Watts, Pranav Dalal, Andrew J Tebben, et al.
Journal of Chemical Information and Modeling
|
December 16, 2020
Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge
Derek P Metcalf, Andy Jiang, Steven A Spronk, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 46) with videos related to
Sort By:
Page
of 5
Journal of Molecular Graphics & Modelling
|
June 12, 2003
Analysis and optimization of structure-based virtual screening protocols (1): exploration of ligand conformational sampling techniques
Andrew C Good, Daniel L Cheney
The Journal of Chemical Physics
|
July 9, 2021
Cartesian message passing neural networks for directional properties: Fast and transferable atomic multipoles
Zachary L Glick, Alexios Koutsoukas, Daniel L Cheney, et al.
Journal of Chemical Theory and Computation
|
May 16, 2018
Assessment of Density Functional Methods for Geometry Optimization of Bimolecular van der Waals Complexes
Dominic A Sirianni, Asem Alenaizan, Daniel L Cheney, et al.
The Journal of Chemical Physics
|
August 27, 2025
Levels of symmetry-adapted perturbation theory (SAPT). II. Convergence of interaction energy components
Jeffrey B Schriber, Austin M Wallace, Daniel L Cheney, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 6, 2017
The Surprising Importance of Peptide Bond Contacts in Drug-Protein Interactions
Robert M Parrish, Doree F Sitkoff, Daniel L Cheney, et al.
The Journal of Chemical Physics
|
May 21, 2022
The influence of a solvent environment on direct non-covalent interactions between two molecules: A symmetry-adapted perturbation theory study of polarization tuning of π-π interactions by water
Dominic A Sirianni, Xiao Zhu, Doree F Sitkoff, et al.
The Journal of Chemical Physics
|
October 3, 2024
Electrostatically embedded symmetry-adapted perturbation theory
Caroline S Glick, Asem Alenaizan, Daniel L Cheney, et al.
The Journal of Chemical Physics
|
June 23, 2023
A quantitative assessment of deformation energy in intermolecular interactions: How important is it?
Caroline T Sargent, Raina Kasera, Zachary L Glick, et al.
Journal of Chemical Information and Modeling
|
September 19, 2014
Macrocycle conformational sampling with MacroModel
K Shawn Watts, Pranav Dalal, Andrew J Tebben, et al.
Journal of Chemical Information and Modeling
|
December 16, 2020
Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge
Derek P Metcalf, Andy Jiang, Steven A Spronk, et al.
Page
of 5