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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Long-range electrostatics

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4 results in Keywords: Long-range electrostatics

Theoretical and Computational Chemistry

A Parallel CUDA Implementation of the Gauss-Legendre-Spherical-t Method for Electrostatic Interactions

James Gonzales, Wonmuk Hwang, Bernard Brooks

Version 1 posted 14 February 2025

62

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Theoretical and Computational Chemistry

Gauss-Legendre-Spherical-t (GLST) Cubature-Based Factorization of Long-Range Electrostatics in Simulations

Wonmuk Hwang, James Gonzales, Bernard Brooks

Version 1 posted 13 February 2025

37

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Theoretical and Computational Chemistry

LICHEM 1.1: Recent Improvements and New Capabilities

Hatice Gökcan, Erik A. Vazquez-Montelongo, G. Andres Cisneros

Version 1 posted 09 January 2019

621

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Theoretical and Computational Chemistry

A Benchmark of Electrostatic Methods Performance in Relative Binding Free Energy Calculations

Yunhui Ge, David F. Hahn, David Mobley

Version 2 posted 16 February 2021

925

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