Parameterization of an effective potential for protein-ligand binding from host-guest affinity data-Reference-Cited by-同舟云学术

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Parameterization of an effective potential for protein-ligand binding from host-guest affinity data

Published:2015-08-10 Issue:1 Volume:29 Page:10-21
ISSN:0952-3499
Container-title:Journal of Molecular Recognition
language:en
Short-container-title:J. Mol. Recognit.

Author:

Wickstrom Lauren¹,Deng Nanjie²,He Peng²,Mentes Ahmet²,Nguyen Crystal³,Gilson Michael K.³,Kurtzman Tom⁴,Gallicchio Emilio⁵,Levy Ronald M.²

Affiliation:

1. Borough of Manhattan Community College, Department of Science; The City University of New York; New York NY 10007 USA

2. Center for Biophysics and Computational Biology/ICMS, Department of Chemistry; Temple University; Philadelphia PA 19122 USA

3. Skaggs School of Pharmacy and Pharmaceutical Sciences; University of California San Diego; La Jolla CA 92093-0736 USA

4. Department of Chemistry; Lehman College, The City University of New York; Bronx NY 10468 USA

5. Department of Chemistry; Brooklyn College, The City University of New York; Brooklyn NY 11210 USA

Funder

NIH

M. K. G.

Publisher

Wiley

Subject

Molecular Biology,Structural Biology

Reference82 articles.

1. Role of the active-site solvent in the thermodynamics of factor Xa ligand binding;Abel;J. Am. Chem. Soc.,2008

2. Integrated modeling program, applied chemical theory (IMPACT);Banks;J. Comput. Chem.,2005

3. Water in cavity-ligand recognition;Baron;J. Am. Chem. Soc.,2010

4. Release of high-energy water as an essential driving force for the high-affinity binding of cucurbit[n]urils;Biedermann;J. Am. Chem. Soc.,2012

5. Free energy, entropy, and induced fit in host-guest recognition: calculations with the second-generation mining minima algorithm;Chang;J. Am. Chem. Soc.,2004

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