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James E Gonzales

Showing results (1-10 of 5) with videos related to

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The Journal of Chemical Physics|June 9, 2025
A parallel CUDA implementation of the Gauss-Legendre-spherical-t method for electrostatic interactionsJames E Gonzales, Wonmuk Hwang, Bernard R Brooks
The Journal of Chemical Physics|June 9, 2025
Gauss-Legendre-spherical-t (GLST) cubature-based factorization of long-range electrostatics in simulationsWonmuk Hwang, James E Gonzales, Bernard R Brooks
The Journal of Chemical Physics|May 9, 2025
apoCHARMM: High-performance molecular dynamics simulations on GPUs for advanced simulation methodsSamarjeet Prasad, Felix Aviat, James E Gonzales, et al.
Proceedings of the National Academy of Sciences of the United States of America|February 20, 2025
Evolutionary rewiring of the dynamic network underpinning allosteric epistasis in NS1 of the influenza A virusJames E Gonzales, Iktae Kim, Abhishek Bastiray, et al.
The Journal of Physical Chemistry. B|September 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and SpeedWonmuk Hwang, Steven L Austin, Arnaud Blondel, et al.
Pageof 1

Showing results (1-10 of 5) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|June 9, 2025
A parallel CUDA implementation of the Gauss-Legendre-spherical-t method for electrostatic interactionsJames E Gonzales, Wonmuk Hwang, Bernard R Brooks
The Journal of Chemical Physics|June 9, 2025
Gauss-Legendre-spherical-t (GLST) cubature-based factorization of long-range electrostatics in simulationsWonmuk Hwang, James E Gonzales, Bernard R Brooks
The Journal of Chemical Physics|May 9, 2025
apoCHARMM: High-performance molecular dynamics simulations on GPUs for advanced simulation methodsSamarjeet Prasad, Felix Aviat, James E Gonzales, et al.
Proceedings of the National Academy of Sciences of the United States of America|February 20, 2025
Evolutionary rewiring of the dynamic network underpinning allosteric epistasis in NS1 of the influenza A virusJames E Gonzales, Iktae Kim, Abhishek Bastiray, et al.
The Journal of Physical Chemistry. B|September 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and SpeedWonmuk Hwang, Steven L Austin, Arnaud Blondel, et al.
Pageof 1