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Benedict W J Irwin

Showing results (1-10 of 7) with videos related to

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The Journal of Chemical Physics|May 22, 2017
On the accuracy of one- and two-particle solvation entropiesBenedict W J Irwin, David J Huggins
Journal of Chemical Theory and Computation|May 2, 2018
Estimating Atomic Contributions to Hydration and Binding Using Free Energy PerturbationBenedict W J Irwin, David J Huggins
The Journal of Physical Chemistry. B|April 27, 2019
Large-Scale Study of Hydration Environments through Hydration SitesBenedict W J Irwin, Sinisa Vukovic, Michael C Payne, et al.
Journal of Chemical Information and Modeling|June 2, 2020
Practical Applications of Deep Learning To Impute Heterogeneous Drug Discovery DataBenedict W J Irwin, Julian R Levell, Thomas M Whitehead, et al.
ACS Omega|December 4, 2023
Efficiently Differentiating Agonists and Competitive Antagonists for Weak Allosteric Protein-Ligand Interactions with Linear Response TheoryAnthony J Davolio, Wojciech J Jankowski, Csilla Várnai, et al.
Proteins|September 21, 2021
GABA receptor associated protein changes the electrostatic environment around the GABA type A receptorBenedict W J Irwin, Clara C Wanjura, Daniel Molnar, et al.
Journal of Medicinal Chemistry|November 8, 2021
An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel AntimalarialsEdwin G Tse, Laksh Aithani, Mark Anderson, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|May 22, 2017
On the accuracy of one- and two-particle solvation entropiesBenedict W J Irwin, David J Huggins
Journal of Chemical Theory and Computation|May 2, 2018
Estimating Atomic Contributions to Hydration and Binding Using Free Energy PerturbationBenedict W J Irwin, David J Huggins
The Journal of Physical Chemistry. B|April 27, 2019
Large-Scale Study of Hydration Environments through Hydration SitesBenedict W J Irwin, Sinisa Vukovic, Michael C Payne, et al.
Journal of Chemical Information and Modeling|June 2, 2020
Practical Applications of Deep Learning To Impute Heterogeneous Drug Discovery DataBenedict W J Irwin, Julian R Levell, Thomas M Whitehead, et al.
ACS Omega|December 4, 2023
Efficiently Differentiating Agonists and Competitive Antagonists for Weak Allosteric Protein-Ligand Interactions with Linear Response TheoryAnthony J Davolio, Wojciech J Jankowski, Csilla Várnai, et al.
Proteins|September 21, 2021
GABA receptor associated protein changes the electrostatic environment around the GABA type A receptorBenedict W J Irwin, Clara C Wanjura, Daniel Molnar, et al.
Journal of Medicinal Chemistry|November 8, 2021
An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel AntimalarialsEdwin G Tse, Laksh Aithani, Mark Anderson, et al.
Pageof 1