Development and test of highly accurate endpoint free energy methods. 1 Evaluation of ABCG2 charge model on solvation free energy prediction and optimization of atom radii suitable for more accurate solvation free energy prediction by the PBSA method

Development and test of highly accurate endpoint free energy methods. 1 : Evaluation of ABCG2 charge model on solvation free energy prediction and optimization of atom radii suitable for more accurate solvation free energy prediction by the PBSA method

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 44(2023), 14 vom: 30. Mai, Seite 1334-1346
1. Verfasser: Sun, Yuchen (VerfasserIn)
Weitere Verfasser: He, Xibing, Hou, Tingjun, Cai, Lianjin, Man, Viet Hoag, Wang, Junmei
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2023
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Review GAFF2 MM-GBSA MM-PBSA atom radii charge models solvation free energy
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