Fast Pairwise Approximation of Solvent Accessible Surface Area for Implicit Solvent Simulations of Proteins on CPUs and GPUs
Author:
Affiliation:
1. Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, New York 11794, United States
2. Department of Chemistry, Stony Brook University, Stony Brook, New York 11794, United States
Funder
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00413
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1. Physical Modeling of Aqueous Solvation
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4. Two-stage Folding of HP-35 from Ab Initio Simulations
5. Blind protein structure prediction using accelerated free-energy simulations
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