Literature DB >> 16100267

The entropic cost of protein-protein association: a case study on acetylcholinesterase binding to fasciculin-2.

David D L Minh, Jennifer M Bui, Chia-En Chang, Tushar Jain, Jessica M J Swanson, J Andrew McCammon.   

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Year:  2005        PMID： 16100267      PMCID： PMC1366787          DOI： 10.1529/biophysj.105.069336

Source DB:  PubMed          Journal:  Biophys J        ISSN： 0006-3495            Impact factor:   4.033


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  8 in total

1.  Mechanism of acetylcholinesterase inhibition by fasciculin: a 5-ns molecular dynamics simulation.

Authors:  Kaihsu Tai; Tongye Shen; Richard H Henchman; Yves Bourne; Pascale Marchot; J Andrew McCammon
Journal:  J Am Chem Soc       Date:  2002-05-29       Impact factor: 15.419

2.  Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy.

Authors:  Jessica M J Swanson; Richard H Henchman; J Andrew McCammon
Journal:  Biophys J       Date:  2004-01       Impact factor: 4.033

3.  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

4.  Absolute and relative entropies from computer simulation with applications to ligand binding.

Authors:  Jens Carlsson; Johan Aqvist
Journal:  J Phys Chem B       Date:  2005-04-07       Impact factor: 2.991

5.  The entropic cost of bound water in crystals and biomolecules.

Authors:  J D Dunitz
Journal:  Science       Date:  1994-04-29       Impact factor: 47.728

6.  The statistical-thermodynamic basis for computation of binding affinities: a critical review.

Authors:  M K Gilson; J A Given; B L Bush; J A McCammon
Journal:  Biophys J       Date:  1997-03       Impact factor: 4.033

7.  The price of lost freedom: entropy of bimolecular complex formation.

Authors:  A V Finkelstein; J Janin
Journal:  Protein Eng       Date:  1989-10

8.  Acetylcholinesterase: enhanced fluctuations and alternative routes to the active site in the complex with fasciculin-2.

Authors:  Jennifer M Bui; Kaihsu Tai; J Andrew McCammon
Journal:  J Am Chem Soc       Date:  2004-06-16       Impact factor: 15.419
  8 in total
  18 in total

1.  Free energy simulations of ligand binding to the aspartate transporter Glt(Ph).

Authors:  Germano Heinzelmann; Turgut Baştuğ; Serdar Kuyucak
Journal:  Biophys J       Date:  2011-11-15       Impact factor: 4.033

2.  The ruggedness of protein-protein energy landscape and the cutoff for 1/r(n) potentials.

Authors:  Anatoly M Ruvinsky; Ilya A Vakser
Journal:  Bioinformatics       Date:  2009-02-23       Impact factor: 6.937

3.  Chasing funnels on protein-protein energy landscapes at different resolutions.

Authors:  Anatoly M Ruvinsky; Ilya A Vakser
Journal:  Biophys J       Date:  2008-05-30       Impact factor: 4.033

4.  WATsite: hydration site prediction program with PyMOL interface.

Authors:  Bingjie Hu; Markus A Lill
Journal:  J Comput Chem       Date:  2014-04-22       Impact factor: 3.376

5.  Dissecting the Influence of Protein Flexibility on the Location and Thermodynamic Profile of Explicit Water Molecules in Protein-Ligand Binding.

Authors:  Ying Yang; Markus A Lill
Journal:  J Chem Theory Comput       Date:  2016-08-18       Impact factor: 6.006

6.  Protein pharmacophore selection using hydration-site analysis.

Authors:  Bingjie Hu; Markus A Lill
Journal:  J Chem Inf Model       Date:  2012-03-26       Impact factor: 4.956

7.  Estimating absolute configurational entropies of macromolecules: the minimally coupled subspace approach.

Authors:  Ulf Hensen; Oliver F Lange; Helmut Grubmüller
Journal:  PLoS One       Date:  2010-02-23       Impact factor: 3.240

8.  Water-membrane partition thermodynamics of an amphiphilic lipopeptide: an enthalpy-driven hydrophobic effect.

Authors:  Alemayehu A Gorfe; Riccardo Baron; J Andrew McCammon
Journal:  Biophys J       Date:  2008-07-11       Impact factor: 4.033

9.  Extracting Kinetic and Stationary Distribution Information from Short MD Trajectories via a Collection of Surrogate Diffusion Models.

Authors:  Christopher P Calderon; Karunesh Arora
Journal:  J Chem Theory Comput       Date:  2009-01-01       Impact factor: 6.006

10.  E9-Im9 colicin DNase-immunity protein biomolecular association in water: a multiple-copy and accelerated molecular dynamics simulation study.

Authors:  Riccardo Baron; Sergio E Wong; Cesar A F de Oliveira; J Andrew McCammon
Journal:  J Phys Chem B       Date:  2008-12-25       Impact factor: 2.991
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