Detection and characterization of nonspecific, sparsely populated binding modes in the early stages of complexation

© 2015 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 36(2015), 13 vom: 15. Mai, Seite 983-95
1. Verfasser: Cardone, Antonio (VerfasserIn)
Weitere Verfasser: Bornstein, Aaron, Pant, Harish C, Brady, Mary, Sriram, Ram, Hassan, Sergio A
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2015
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, N.I.H., Extramural Research Support, N.I.H., Intramural Research Support, Non-U.S. Gov't complex formation configurational-bias Monte Carlo implicit solvent model nonspecific interactions protein aggregation protein-protein association mehr... solvent effects Ligands Cyclin-Dependent Kinase 5 EC 2.7.11.1