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1 Ergebnisse
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D3R Grand Challenge 4: ligand similarity and MM-GBSA-based ..:
Sasmal, Sukanya
;
El Khoury, Léa
;
Mobley, David L
qt7md8k9z4. , 2020
Link:
https://escholarship.org/uc/item/7md8k9z4
RT Journal T1
D3R Grand Challenge 4: ligand similarity and MM-GBSA-based pose prediction and affinity ranking for BACE-1 inhibitors
UL https://suche.suub.uni-bremen.de/peid=base-ftcdlib:oai:escholarship.org:ark:_13030_qt7md8k9z4&Exemplar=1&LAN=DE A1 Sasmal, Sukanya A1 El Khoury, Léa A1 Mobley, David L PB eScholarship, University of California YR 2020 K1 Medicinal and Biomolecular Chemistry K1 Chemical Sciences K1 Generic health relevance K1 Amyloid Precursor Protein Secretases K1 Aspartic Acid Endopeptidases K1 Binding Sites K1 Drug Design K1 Enzyme Inhibitors K1 Humans K1 Ligands K1 Molecular Docking Simulation K1 Protein Binding K1 Protein Conformation K1 Small Molecule Libraries K1 Software K1 Pose prediction K1 Docking K1 Binding affinity K1 Ligand similarity K1 MM-GBSA K1 Theoretical and Computational Chemistry K1 Medicinal & Biomolecular Chemistry JF qt7md8k9z4 LK http://dx.doi.org/https://escholarship.org/uc/item/7md8k9z4 DO https://escholarship.org/uc/item/7md8k9z4 SF ELIB - SuUB Bremen
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