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Robert Abel

Showing results (1-10 of 82) with videos related to

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Methods in Molecular Biology (Clifton, N.J.)|August 10, 2019
Protein-Ligand Binding Free Energy Calculations with FEPLingle Wang, Jennifer Chambers, Robert Abel
Proteins|March 8, 2013
Contributions of water transfer energy to protein-ligand association and dissociation barriers: Watermap analysis of a series of p38α MAP kinase inhibitorsRobert A Pearlstein, Woody Sherman, Robert Abel
Drug Discovery Today. Technologies|December 15, 2021
From computer-aided drug discovery to computer-driven drug discoveryLeah Frye, Sathesh Bhat, Karen Akinsanya, et al.
Journal of Molecular Biology|March 11, 2017
Free Energy Perturbation Calculations of the Thermodynamics of Protein Side-Chain MutationsThomas Steinbrecher, Robert Abel, Anthony Clark, et al.
Journal of Chemical Theory and Computation|May 23, 2023
Quantitatively Accounting for Protein Reorganization in Computer-Aided Drug DesignMikolai Fajer, Ken Borrelli, Robert Abel, et al.
Journal of Chemical Information and Modeling|May 31, 2019
Application of Free Energy Perturbation (FEP+) to Understanding Ligand Selectivity: A Case Study to Assess Selectivity Between Pairs of Phosphodiesterases (PDE's)Francesca Moraca, Ana Negri, Cesar de Oliveira, et al.
Journal of Chemical Information and Modeling|February 14, 2019
Molecular Structure Extraction from Documents Using Deep LearningJoshua Staker, Kyle Marshall, Robert Abel, et al.
Journal of Chemical Theory and Computation|December 8, 2010
A displaced-solvent functional analysis of model hydrophobic enclosuresRobert Abel, Lingle Wang, Richard A Friesner, et al.
Journal of Chemical Theory and Computation|July 28, 2016
Sensitivity in Binding Free Energies Due to Protein ReorganizationNathan M Lim, Lingle Wang, Robert Abel, et al.
Journal of Chemical Theory and Computation|October 24, 2009
Thermodynamic properties of liquid water: an application of a nonparametric approach to computing the entropy of a neat fluidLingle Wang, Robert Abel, Richard A Friesner, et al.
Pageof 9

Showing results (1-10 of 82) with videos related to

Sort By:
Pageof 9
Methods in Molecular Biology (Clifton, N.J.)|August 10, 2019
Protein-Ligand Binding Free Energy Calculations with FEPLingle Wang, Jennifer Chambers, Robert Abel
Proteins|March 8, 2013
Contributions of water transfer energy to protein-ligand association and dissociation barriers: Watermap analysis of a series of p38α MAP kinase inhibitorsRobert A Pearlstein, Woody Sherman, Robert Abel
Drug Discovery Today. Technologies|December 15, 2021
From computer-aided drug discovery to computer-driven drug discoveryLeah Frye, Sathesh Bhat, Karen Akinsanya, et al.
Journal of Molecular Biology|March 11, 2017
Free Energy Perturbation Calculations of the Thermodynamics of Protein Side-Chain MutationsThomas Steinbrecher, Robert Abel, Anthony Clark, et al.
Journal of Chemical Theory and Computation|May 23, 2023
Quantitatively Accounting for Protein Reorganization in Computer-Aided Drug DesignMikolai Fajer, Ken Borrelli, Robert Abel, et al.
Journal of Chemical Information and Modeling|May 31, 2019
Application of Free Energy Perturbation (FEP+) to Understanding Ligand Selectivity: A Case Study to Assess Selectivity Between Pairs of Phosphodiesterases (PDE's)Francesca Moraca, Ana Negri, Cesar de Oliveira, et al.
Journal of Chemical Information and Modeling|February 14, 2019
Molecular Structure Extraction from Documents Using Deep LearningJoshua Staker, Kyle Marshall, Robert Abel, et al.
Journal of Chemical Theory and Computation|December 8, 2010
A displaced-solvent functional analysis of model hydrophobic enclosuresRobert Abel, Lingle Wang, Richard A Friesner, et al.
Journal of Chemical Theory and Computation|July 28, 2016
Sensitivity in Binding Free Energies Due to Protein ReorganizationNathan M Lim, Lingle Wang, Robert Abel, et al.
Journal of Chemical Theory and Computation|October 24, 2009
Thermodynamic properties of liquid water: an application of a nonparametric approach to computing the entropy of a neat fluidLingle Wang, Robert Abel, Richard A Friesner, et al.
Pageof 9