Exact Analytical Algorithm for the Solvent-Accessible Surface Area and Derivatives in Implicit Solvent Molecular Simulations on GPUs

Xin Cao, Michelle H. Hummel, Yuzhang Wang, Carlos Simmerling, Evangelos A. Coutsias

Source record

Source: Crossref

Published: May 23, 2024

DOI: 10.1021/acs.jctc.3c01366

Open original source ↗

Evidence graph

No public relationships recorded yet.

Integrity note: This page is a factual metadata record created by deterministic ingestion. It is not a claim that the work moves a mathematical frontier or has been independently verified.