Literature DB >> 20966940

Molecular binding: Under water's influence.

Gerhard Hummer.   

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Year:  2010        PMID： 20966940      PMCID： PMC3457629          DOI： 10.1038/nchem.885

Source DB:  PubMed          Journal:  Nat Chem        ISSN： 1755-4330            Impact factor:   24.427


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  9 in total

1.  Hydrophobicity maps of the N-peptide coiled coil of HIV-1 gp41.

Authors:  Xavier Siebert; Gerhard Hummer
Journal:  Biochemistry       Date:  2002-03-05       Impact factor: 3.162

Review 2.  Interfaces and the driving force of hydrophobic assembly.

Authors:  David Chandler
Journal:  Nature       Date:  2005-09-29       Impact factor: 49.962

3.  Predicting absolute ligand binding free energies to a simple model site.

Authors:  David L Mobley; Alan P Graves; John D Chodera; Andrea C McReynolds; Brian K Shoichet; Ken A Dill
Journal:  J Mol Biol       Date:  2007-06-08       Impact factor: 5.469

4.  Role of the active-site solvent in the thermodynamics of factor Xa ligand binding.

Authors:  Robert Abel; Tom Young; Ramy Farid; Bruce J Berne; Richard A Friesner
Journal:  J Am Chem Soc       Date:  2008-02-12       Impact factor: 15.419

5.  A dry ligand-binding cavity in a solvated protein.

Authors:  Johan Qvist; Monika Davidovic; Donald Hamelberg; Bertil Halle
Journal:  Proc Natl Acad Sci U S A       Date:  2008-04-21       Impact factor: 11.205

6.  Water in cavity-ligand recognition.

Authors:  Riccardo Baron; Piotr Setny; J Andrew McCammon
Journal:  J Am Chem Soc       Date:  2010-09-01       Impact factor: 15.419

Review 7.  Water in nonpolar confinement: from nanotubes to proteins and beyond.

Authors:  Jayendran C Rasaiah; Shekhar Garde; Gerhard Hummer
Journal:  Annu Rev Phys Chem       Date:  2008       Impact factor: 12.703

8.  Prediction of the water content in protein binding sites.

Authors:  Julien Michel; Julian Tirado-Rives; William L Jorgensen
Journal:  J Phys Chem B       Date:  2009-10-08       Impact factor: 2.991

9.  How Can Hydrophobic Association Be Enthalpy Driven?

Authors:  Piotr Setny; Riccardo Baron; J Andrew McCammon
Journal:  J Chem Theory Comput       Date:  2010-08-24       Impact factor: 6.006
  9 in total
  34 in total

1.  Improving protein-ligand docking with flexible interfacial water molecules using SWRosettaLigand.

Authors:  Linqing Li; Weiwei Xu; Qiang Lü
Journal:  J Mol Model       Date:  2015-10-30       Impact factor: 1.810

2.  On the cooperative formation of non-hydrogen-bonded water at molecular hydrophobic interfaces.

Authors:  Joel G Davis; Blake M Rankin; Kamil P Gierszal; Dor Ben-Amotz
Journal:  Nat Chem       Date:  2013-07-21       Impact factor: 24.427

3.  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

4.  Direct Observation of Nanosecond Water Exchange Dynamics at a Protein Metal Site.

Authors:  Monika Stachura; Saumen Chakraborty; Alexander Gottberg; Leela Ruckthong; Vincent L Pecoraro; Lars Hemmingsen
Journal:  J Am Chem Soc       Date:  2016-12-20       Impact factor: 15.419

5.  Spontaneous drying of non-polar deep-cavity cavitand pockets in aqueous solution.

Authors:  J Wesley Barnett; Matthew R Sullivan; Joshua A Long; Du Tang; Thong Nguyen; Dor Ben-Amotz; Bruce C Gibb; Henry S Ashbaugh
Journal:  Nat Chem       Date:  2020-05-18       Impact factor: 24.427

6.  Simulation optimization of spherical non-polar guest recognition by deep-cavity cavitands.

Authors:  Piyush P Wanjari; Bruce C Gibb; Henry S Ashbaugh
Journal:  J Chem Phys       Date:  2013-12-21       Impact factor: 3.488

7.  Critical role of water in the binding of volatile anesthetics to proteins.

Authors:  Hai-Jing Wang; Alfred Kleinhammes; Pei Tang; Yan Xu; Yue Wu
Journal:  J Phys Chem B       Date:  2013-10-02       Impact factor: 2.991

8.  Dominant Alcohol-Protein Interaction via Hydration-Enabled Enthalpy-Driven Binding Mechanism.

Authors:  Yuan Chong; Alfred Kleinhammes; Pei Tang; Yan Xu; Yue Wu
Journal:  J Phys Chem B       Date:  2015-04-17       Impact factor: 2.991

9.  A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge.

Authors:  Rajat Kumar Pal; Kamran Haider; Divya Kaur; William Flynn; Junchao Xia; Ronald M Levy; Tetiana Taran; Lauren Wickstrom; Tom Kurtzman; Emilio Gallicchio
Journal:  J Comput Aided Mol Des       Date:  2016-09-30       Impact factor: 3.686

Review 10.  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
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