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Current State of Open Source Force Fields in Protein–Ligand ...
ACS Publications
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ACS Publications
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由 DF Hahn 著作被引用 12 次 — We evaluate the ability of six different small-molecule force fields to predict experimental protein–ligand binding affinities in RBFE calculations.
Current state of open source force fields in protein-ligand ...
ChemRxiv
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由 DF Hahn 著作2023被引用 12 次 — We evaluate the ability of six different small-molecule force fields to predict experimental protein-ligand binding affinities in RBFE calculations.
Current State of Open Source Force Fields in Protein ...
National Institutes of Health (NIH) (.gov)
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National Institutes of Health (NIH) (.gov)
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由 DF Hahn 著作被引用 12 次 — We evaluate the ability of six different small-molecule force fields to predict experimental protein-ligand binding affinities in RBFE calculations.
Current State of Open Source Force Fields in Protein ...
National Institutes of Health (NIH) (.gov)
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National Institutes of Health (NIH) (.gov)
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由 DF Hahn 著作2024被引用 12 次 — We evaluate the ability of six different small-molecule force fields to predict experimental protein–ligand binding affinities in RBFE calculations.
Current state of open source force fields in protein-ligand ...
Max-Planck-Gesellschaft zur Förderung der Wissenschaften
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Max-Planck-Gesellschaft zur Förderung der Wissenschaften
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Here, we evaluate the ability of six different small-molecule force fields to predict experimental protein-ligand binding affinities in RBFE calculations on a ...
Current State of Open Source Force Fields in Protein ...
ResearchGate
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Analysis of the force field reveals that improved parameters lead to significant improvement in the accuracy of affinity predictions on subsets of the dataset ...
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MPG.PuRe
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MPG.PuRe
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2024年6月26日 — ... Current State of Open Source Force Fields in Protein?Ligand Binding Affinity Predictions xmp:CreatorTool: Arbortext Publishing Engine ...
Current State of Open Source Force Fields in Protein ...
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Current State of Open Source Force Fields in Protein–Ligand Binding Affinity Predictions. Published:2024-06-19 Issue:13 Volume:64 Page:5063-5076.
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Current State of Open Source Force... - ACS Publications
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'Current State of Open Source Force Fields in Protein–Ligand Binding Affinity Predictions' from Journal of Chemical Information and Modeling is currently free ...
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Open Force Field
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Current state of open source force fields in protein-ligand binding affinity predictions. David F. Hahn, Vytautas Gapsys, Bert L. de Groot, David L. Mobley ...
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