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Luis F Cervantes

Showing results (1-10 of 6) with videos related to

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Journal of Chemical Information and Modeling|March 14, 2022
Optimizing Multisite λ-Dynamics Throughput with Charge RenormalizationJonah Z Vilseck, Luis F Cervantes, Ryan L Hayes, et al.
Journal of Chemical Information and Modeling|May 8, 2024
Exploring the Limits of the Generalized CHARMM and AMBER Force Fields through Predictions of Hydration Free Energy of Small MoleculesArghya Chakravorty, Azam Hussain, Luis F Cervantes, et al.
Journal of Chemical Information and Modeling|March 8, 2022
Alchemical Free Energy Methods Applied to Complexes of the First Bromodomain of BRD4Ellen E Guest, Luis F Cervantes, Stephen D Pickett, et al.
Journal of Chemical Theory and Computation|June 2, 2023
pyCHARMM: Embedding CHARMM Functionality in a Python FrameworkJoshua Buckner, Xiaorong Liu, Arghya Chakravorty, et al.
Journal of Chemical Theory and Computation|July 8, 2024
How to Sample Dozens of Substitutions per Site with λ DynamicsRyan L Hayes, Luis F Cervantes, Justin Cruz Abad Santos, et al.
Journal of Chemical Information and Modeling|January 26, 2024
Investigating Polypharmacology through Targeting Known Human Neutrophil Elastase Inhibitors to Proteinase 3Parveen Gartan, Fahimeh Khorsand, Pushpak Mizar, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
Journal of Chemical Information and Modeling|March 14, 2022
Optimizing Multisite λ-Dynamics Throughput with Charge RenormalizationJonah Z Vilseck, Luis F Cervantes, Ryan L Hayes, et al.
Journal of Chemical Information and Modeling|May 8, 2024
Exploring the Limits of the Generalized CHARMM and AMBER Force Fields through Predictions of Hydration Free Energy of Small MoleculesArghya Chakravorty, Azam Hussain, Luis F Cervantes, et al.
Journal of Chemical Information and Modeling|March 8, 2022
Alchemical Free Energy Methods Applied to Complexes of the First Bromodomain of BRD4Ellen E Guest, Luis F Cervantes, Stephen D Pickett, et al.
Journal of Chemical Theory and Computation|June 2, 2023
pyCHARMM: Embedding CHARMM Functionality in a Python FrameworkJoshua Buckner, Xiaorong Liu, Arghya Chakravorty, et al.
Journal of Chemical Theory and Computation|July 8, 2024
How to Sample Dozens of Substitutions per Site with λ DynamicsRyan L Hayes, Luis F Cervantes, Justin Cruz Abad Santos, et al.
Journal of Chemical Information and Modeling|January 26, 2024
Investigating Polypharmacology through Targeting Known Human Neutrophil Elastase Inhibitors to Proteinase 3Parveen Gartan, Fahimeh Khorsand, Pushpak Mizar, et al.
Pageof 1