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Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units

The Generalized Born with Molecular Volume (GBMV2) implicit solvent model provides an accurate description of molecular volume and has the potential to accurately describe the conformational equilibria of structured and disordered proteins. However, its broader application has been limited by the co...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:J Comput Chem
Egile Nagusiak: Gong, Xiping, Chiricotto, Mara, Liu, Xiaorong, Nordquist, Erik, Feig, Michael, Brooks, Charles L., Chen, Jianhan
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2019
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC7076882/
https://ncbi.nlm.nih.gov/pubmed/31875339
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.26133
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