Accurate Calculations of Ligand Binding Free Energies: Chiral Separation with Enantioselective Receptors

Journal of Physical Chemistry A

Volumn 108, Issue 16, 2004, Pages 3572-3580

  Hayes, Joseph M ^a   Stein, Matthias ^a   Weiser, Jörg ^a  

^a Anterio Consult and Research GmbH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BINDING ENERGY; COMPUTER SIMULATION; CONFORMATIONS; FREE ENERGY; FUNCTIONS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; SEPARATION;

CHIRAL SEPARATION; ENANTIOSELECTIVE RECEPTORS; LIGANDS; STOCHASTIC DYNAMICS (SD);

PROTEINS;

EID: 2342465506     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0373797     Document Type: Article

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