James E Gonzales

5PUBLICATIONS
64CO-AUTHORS
Numerical solution of differential and integral equationsNumerical computation and mathematical softwareProcedural content generationSpeciation and extinctionComputational complexity and computability
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Publications (5)

|Jun 09, 2025
Gauss-Legendre-spherical-t (GLST) cubature-based factorization of long-range electrostatics in simulations.

Wonmuk Hwang, James E Gonzales, Bernard R Brooks

|Jun 09, 2025
A parallel CUDA implementation of the Gauss-Legendre-spherical-t method for electrostatic interactions.

James E Gonzales, Wonmuk Hwang, Bernard R Brooks

|May 09, 2025
apoCHARMM: High-performance molecular dynamics simulations on GPUs for advanced simulation methods.

Samarjeet Prasad, Felix Aviat, James E Gonzales

|Feb 20, 2025
Evolutionary rewiring of the dynamic network underpinning allosteric epistasis in NS1 of the influenza A virus.

James E Gonzales, Iktae Kim, Abhishek Bastiray

|Sep 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed.

Wonmuk Hwang, Steven L Austin, Arnaud Blondel

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Frequent Collaborators

4 joint publications

Wonmuk Hwang

4 joint publications

Bernard R Brooks

1 joint publications

Arnaud Blondel

1 joint publications

Stefan Boresch