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RASPD+: Fast Protein-Ligand Binding Free Energy Prediction Using Simplified Physicochemical Features.

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Title: RASPD+: Fast Protein-Ligand Binding Free Energy Prediction Using Simplified Physicochemical Features.
Authors: Holderbach S; Molecular and Cellular Modelling Group, Heidelberg Institute of Theoretical Studies, Heidelberg, Germany.; Institute of Pharmacy and Molecular Biotechnology (IPMB), Heidelberg University, Heidelberg, Germany., Adam L; Molecular and Cellular Modelling Group, Heidelberg Institute of Theoretical Studies, Heidelberg, Germany.; Institute of Pharmacy and Molecular Biotechnology (IPMB), Heidelberg University, Heidelberg, Germany., Jayaram B; Supercomputing Facility for Bioinformatics & Computational Biology, Department of Chemistry, Kusuma School of Biological Sciences, Indian Institute of Technology Delhi, New Delhi, India., Wade RC; Molecular and Cellular Modelling Group, Heidelberg Institute of Theoretical Studies, Heidelberg, Germany.; Center for Molecular Biology (ZMBH), DKFZ-ZMBH Alliance, Heidelberg University, Heidelberg, Germany.; Interdisciplinary Center for Scientific Computing (IWR), Heidelberg University, Heidelberg, Germany., Mukherjee G; Molecular and Cellular Modelling Group, Heidelberg Institute of Theoretical Studies, Heidelberg, Germany.; Center for Molecular Biology (ZMBH), DKFZ-ZMBH Alliance, Heidelberg University, Heidelberg, Germany.
Source: Frontiers in molecular biosciences [Front Mol Biosci] 2020 Dec 17; Vol. 7, pp. 601065. Date of Electronic Publication: 2020 Dec 17 (Print Publication: 2020).
Publication Type: Journal Article
Journal Info: Publisher: Frontiers Media S.A Country of Publication: Switzerland NLM ID: 101653173 Publication Model: eCollection Cited Medium: Print ISSN: 2296-889X (Print) Linking ISSN: 2296889X NLM ISO Abbreviation: Front Mol Biosci Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Holderbach+S%22">Holderbach S</searchLink>; Molecular and Cellular Modelling Group, Heidelberg Institute of Theoretical Studies, Heidelberg, Germany.; Institute of Pharmacy and Molecular Biotechnology (IPMB), Heidelberg University, Heidelberg, Germany.<br /><searchLink fieldCode="AU" term="%22Adam+L%22">Adam L</searchLink>; Molecular and Cellular Modelling Group, Heidelberg Institute of Theoretical Studies, Heidelberg, Germany.; Institute of Pharmacy and Molecular Biotechnology (IPMB), Heidelberg University, Heidelberg, Germany.<br /><searchLink fieldCode="AU" term="%22Jayaram+B%22">Jayaram B</searchLink>; Supercomputing Facility for Bioinformatics & Computational Biology, Department of Chemistry, Kusuma School of Biological Sciences, Indian Institute of Technology Delhi, New Delhi, India.<br /><searchLink fieldCode="AU" term="%22Wade+RC%22">Wade RC</searchLink>; Molecular and Cellular Modelling Group, Heidelberg Institute of Theoretical Studies, Heidelberg, Germany.; Center for Molecular Biology (ZMBH), DKFZ-ZMBH Alliance, Heidelberg University, Heidelberg, Germany.; Interdisciplinary Center for Scientific Computing (IWR), Heidelberg University, Heidelberg, Germany.<br /><searchLink fieldCode="AU" term="%22Mukherjee+G%22">Mukherjee G</searchLink>; Molecular and Cellular Modelling Group, Heidelberg Institute of Theoretical Studies, Heidelberg, Germany.; Center for Molecular Biology (ZMBH), DKFZ-ZMBH Alliance, Heidelberg University, Heidelberg, Germany.
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  Data: <searchLink fieldCode="JN" term="%22101653173%22">Frontiers in molecular biosciences</searchLink> [Front Mol Biosci] 2020 Dec 17; Vol. 7, pp. 601065. <i>Date of Electronic Publication: </i>2020 Dec 17 (<i>Print Publication: </i>2020).
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        Value: 10.3389/fmolb.2020.601065
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              Text: 2020 Dec 17
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