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1 Ergebnisse
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SAMPL7 Host–Guest Challenge Overview: assessing the reliabi..:
Amezcua, Martin
;
El Khoury, Léa
;
Mobley, David L
qt16x557zg. , 2021
Link:
https://escholarship.org/uc/item/16x557zg
RT Journal T1
SAMPL7 Host–Guest Challenge Overview: assessing the reliability of polarizable and non-polarizable methods for binding free energy calculations
UL https://suche.suub.uni-bremen.de/peid=base-ftcdlib:oai:escholarship.org:ark:_13030_qt16x557zg&Exemplar=1&LAN=DE A1 Amezcua, Martin A1 El Khoury, Léa A1 Mobley, David L PB eScholarship, University of California YR 2021 K1 Macromolecular and Materials Chemistry K1 Medicinal and Biomolecular Chemistry K1 Organic Chemistry K1 Chemical Sciences K1 Bioengineering K1 Computer-Aided Design K1 Entropy K1 Humans K1 Ligands K1 Macrocyclic Compounds K1 Molecular Dynamics Simulation K1 Molecular Structure K1 Protein Binding K1 Proteins K1 Thermodynamics K1 Host– K1 guest binding K1 Free energy K1 Binding affinity K1 SAMPL K1 Blind challenge K1 OctaAcid K1 Cyclodextrin K1 Cucurbituril K1 Host–guest binding K1 Theoretical and Computational Chemistry K1 Medicinal & Biomolecular Chemistry JF qt16x557zg LK http://dx.doi.org/https://escholarship.org/uc/item/16x557zg DO https://escholarship.org/uc/item/16x557zg SF ELIB - SuUB Bremen
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