Literature DB >> 19588959

Theory of free energy and entropy in noncovalent binding.

Huan-Xiang Zhou1, Michael K Gilson.   

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Year:  2009        PMID： 19588959      PMCID： PMC3329805          DOI： 10.1021/cr800551w

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


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  85 in total

1.  On the calculation of absolute macromolecular binding free energies.

Authors:  Hengbin Luo; Kim Sharp
Journal:  Proc Natl Acad Sci U S A       Date:  2002-07-29       Impact factor: 11.205

2.  Free energy, entropy, and induced fit in host-guest recognition: calculations with the second-generation mining minima algorithm.

Authors:  Chia-En Chang; Michael K Gilson
Journal:  J Am Chem Soc       Date:  2004-10-13       Impact factor: 15.419

3.  Direct estimation of entropy loss due to reduced translational and rotational motions upon molecular binding.

Authors:  Benzhuo Lu; Chung F Wong
Journal:  Biopolymers       Date:  2005-12-05       Impact factor: 2.505

Review 4.  Probing the binding entropy of ligand-protein interactions by NMR.

Authors:  Steve W Homans
Journal:  Chembiochem       Date:  2005-09       Impact factor: 3.164

Review 5.  Physics-based methods for studying protein-ligand interactions.

Authors:  Niu Huang; Matthew P Jacobson
Journal:  Curr Opin Drug Discov Devel       Date:  2007-05

6.  Random walk in orthogonal space to achieve efficient free-energy simulation of complex systems.

Authors:  Lianqing Zheng; Mengen Chen; Wei Yang
Journal:  Proc Natl Acad Sci U S A       Date:  2008-12-15       Impact factor: 11.205

7.  For Guldberg and Waage, with love and cratic entropy.

Authors:  J Janin
Journal:  Proteins       Date:  1996-04

8.  Loss of translational entropy in binding, folding, and catalysis.

Authors:  L M Amzel
Journal:  Proteins       Date:  1997-06

9.  The contribution of vibrational entropy to molecular association. The dimerization of insulin.

Authors:  B Tidor; M Karplus
Journal:  J Mol Biol       Date:  1994-05-06       Impact factor: 5.469

10.  Entropic contributions and the influence of the hydrophobic environment in promiscuous protein-protein association.

Authors:  Chia-En A Chang; William A McLaughlin; Riccardo Baron; Wei Wang; J Andrew McCammon
Journal:  Proc Natl Acad Sci U S A       Date:  2008-05-21       Impact factor: 11.205
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  105 in total

1.  Theory and simulation of diffusion-influenced, stochastically gated ligand binding to buried sites.

Authors:  Jorge L Barreda; Huan-Xiang Zhou
Journal:  J Chem Phys       Date:  2011-10-14       Impact factor: 3.488

2.  Absolute free energy of binding of avidin/biotin, revisited.

Authors:  Ignacio J General; Ralitsa Dragomirova; Hagai Meirovitch
Journal:  J Phys Chem B       Date:  2012-02-27       Impact factor: 2.991

3.  Prediction of SAMPL3 host-guest binding affinities: evaluating the accuracy of generalized force-fields.

Authors:  Hari S Muddana; Michael K Gilson
Journal:  J Comput Aided Mol Des       Date:  2012-01-25       Impact factor: 3.686

4.  Virtual screening using molecular simulations.

Authors:  Tianyi Yang; Johnny C Wu; Chunli Yan; Yuanfeng Wang; Ray Luo; Michael B Gonzales; Kevin N Dalby; Pengyu Ren
Journal:  Proteins       Date:  2011-04-12

5.  Functional Role of Solvent Entropy and Conformational Entropy of Metal Binding in a Dynamically Driven Allosteric System.

Authors:  Daiana A Capdevila; Katherine A Edmonds; Gregory C Campanello; Hongwei Wu; Giovanni Gonzalez-Gutierrez; David P Giedroc
Journal:  J Am Chem Soc       Date:  2018-07-16       Impact factor: 15.419

6.  Effect of in vivo post-translational modifications of the HMGB1 protein upon binding to platinated DNA: a molecular simulation study.

Authors:  Wenping Lyu Lv; Fabio Arnesano; Paolo Carloni; Giovanni Natile; Giulia Rossetti
Journal:  Nucleic Acids Res       Date:  2018-12-14       Impact factor: 16.971

7.  Relative stability of the open and closed conformations of the active site loop of streptavidin.

Authors:  Ignacio J General; Hagai Meirovitch
Journal:  J Chem Phys       Date:  2011-01-14       Impact factor: 3.488

8.  VSDMIP 1.5: an automated structure- and ligand-based virtual screening platform with a PyMOL graphical user interface.

Authors:  Álvaro Cortés Cabrera; Rubén Gil-Redondo; Almudena Perona; Federico Gago; Antonio Morreale
Journal:  J Comput Aided Mol Des       Date:  2011-08-09       Impact factor: 3.686

Review 9.  The dark energy of proteins comes to light: conformational entropy and its role in protein function revealed by NMR relaxation.

Authors:  A Joshua Wand
Journal:  Curr Opin Struct Biol       Date:  2012-12-13       Impact factor: 6.809

10.  Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen-Hydrogen Correlations.

Authors:  Camilo Velez-Vega; Daniel J J McKay; Tom Kurtzman; Vibhas Aravamuthan; Robert A Pearlstein; José S Duca
Journal:  J Chem Theory Comput       Date:  2015-10-21       Impact factor: 6.006
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