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ChemPhysChem

Volumn 18, Issue 8, 2017, Pages 898-905

Towards full Quantum-Mechanics-based Protein–Ligand Binding Affinities

(3) Ehrlich, Stephan a Göller, Andreas H b Grimme, Stefan a

a UNIVERSITY OF BONN (Germany)

b BAYER PHARMA AG (Germany)

Author keywords

ab initio calculations; density functional calculations; drug design; noncovalent interactions; proteins

Indexed keywords

BLOOD CLOTTING FACTOR 10; LIGAND; PROTEIN KINASE TYK2; SERINE PROTEINASE; TYK2 PROTEIN, HUMAN;

BINDING SITE; CHEMISTRY; HUMAN; METABOLISM; QUANTUM THEORY;

BINDING SITES; FACTOR X; HUMANS; LIGANDS; QUANTUM THEORY; SERINE ENDOPEPTIDASES; TYK2 KINASE;

EID: 85014537434 PISSN: 14394235 EISSN: 14397641 Source Type: Journal
DOI: 10.1002/cphc.201700082 Document Type: Article

Times cited : (53)

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