Exact analytical algorithm for solvent accessible surface area and derivatives in implicit solvent molecular simulations on GPUs

Fuente: arXiv

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Bibliographic Details
Main Authors:	Cao, Xin, Hummel, Michelle H., Wang, Yuzhang, Simmerling, Carlos, Coutsias, Evangelos A.
Format:	Preprint
Published:	2024
Subjects:	Biomolecules
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2401.10462