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Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free Energy.
Molani, Farzad; Webb, Simon; Cho, Art E.
Affiliation
  • Molani F; Department of Bioinformatics, Korea University, 2511 Sejong-ro, Sejong 30119, Korea.
  • Webb S; VeraChem LLC, 12850 Middlebrook Road STE 205, Germantown, Maryland 20874, United States.
  • Cho AE; Department of Bioinformatics, Korea University, 2511 Sejong-ro, Sejong 30119, Korea.
J Chem Inf Model ; 63(9): 2728-2734, 2023 05 08.
Article in En | MEDLINE | ID: mdl-37079618
Subject(s)
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Full text: 1 Database: MEDLINE Main subject: Proteins Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2023 Type: Article
Fulltext
Add to My VHL
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Full text: 1 Database: MEDLINE Main subject: Proteins Type of study: Prognostic_studies / Risk_factors_studies Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2023 Type: Article