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Chetan Rupakheti

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

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The Journal of Chemical Physics|September 23, 2020
Statistical mechanics of polarizable force fields based on classical Drude oscillators with dynamical propagation by the dual-thermostat extended LagrangianChetan Rupakheti, Guillaume Lamoureux, Alexander D MacKerell, et al.
Journal of Chemical Information and Modeling|January 17, 2015
Strategy to discover diverse optimal molecules in the small molecule universeChetan Rupakheti, Aaron Virshup, Weitao Yang, et al.
Journal of Chemical Theory and Computation|April 26, 2018
Optimized Lennard-Jones Parameters for Druglike Small MoleculesEliot Boulanger, Lei Huang, Chetan Rupakheti, et al.
Journal of Chemical Theory and Computation|April 14, 2020
Further Optimization and Validation of the Classical Drude Polarizable Protein Force FieldFang-Yu Lin, Jing Huang, Poonam Pandey, et al.
Journal of Chemical Theory and Computation|March 8, 2016
Diverse Optimal Molecular Libraries for Organic Light-Emitting DiodesChetan Rupakheti, Rachael Al-Saadon, Yuqi Zhang, et al.
Environmental Health Perspectives|February 20, 2020
CoMPARA: Collaborative Modeling Project for Androgen Receptor ActivityKamel Mansouri, Nicole Kleinstreuer, Ahmed M Abdelaziz, et al.
Pageof 1

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

Sort By:
Pageof 1
The Journal of Chemical Physics|September 23, 2020
Statistical mechanics of polarizable force fields based on classical Drude oscillators with dynamical propagation by the dual-thermostat extended LagrangianChetan Rupakheti, Guillaume Lamoureux, Alexander D MacKerell, et al.
Journal of Chemical Information and Modeling|January 17, 2015
Strategy to discover diverse optimal molecules in the small molecule universeChetan Rupakheti, Aaron Virshup, Weitao Yang, et al.
Journal of Chemical Theory and Computation|April 26, 2018
Optimized Lennard-Jones Parameters for Druglike Small MoleculesEliot Boulanger, Lei Huang, Chetan Rupakheti, et al.
Journal of Chemical Theory and Computation|April 14, 2020
Further Optimization and Validation of the Classical Drude Polarizable Protein Force FieldFang-Yu Lin, Jing Huang, Poonam Pandey, et al.
Journal of Chemical Theory and Computation|March 8, 2016
Diverse Optimal Molecular Libraries for Organic Light-Emitting DiodesChetan Rupakheti, Rachael Al-Saadon, Yuqi Zhang, et al.
Environmental Health Perspectives|February 20, 2020
CoMPARA: Collaborative Modeling Project for Androgen Receptor ActivityKamel Mansouri, Nicole Kleinstreuer, Ahmed M Abdelaziz, et al.
Pageof 1