Literature DB >> 2410050

Active site dynamics in protein molecules: a stochastic boundary molecular-dynamics approach.

C L Brooks, A Brünger, M Karplus.   

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Year:  1985        PMID： 2410050     DOI： 10.1002/bip.360240509

Source DB:  PubMed          Journal:  Biopolymers        ISSN： 0006-3525            Impact factor:   2.505


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  67 in total

1.  Substrate conformational transitions in the active site of chorismate mutase: their role in the catalytic mechanism.

Authors:  H Guo; Q Cui; W N Lipscomb; M Karplus
Journal:  Proc Natl Acad Sci U S A       Date:  2001-07-31       Impact factor: 11.205

2.  The missing link between thermodynamics and structure in F1-ATPase.

Authors:  W Yang; Y Q Gao; Q Cui; J Ma; M Karplus
Journal:  Proc Natl Acad Sci U S A       Date:  2003-01-27       Impact factor: 11.205

3.  Sensitivity of molecular dynamics simulations to the choice of the X-ray structure used to model an enzymatic reaction.

Authors:  Mireia Garcia-Viloca; Tina D Poulsen; Donald G Truhlar; Jiali Gao
Journal:  Protein Sci       Date:  2004-09       Impact factor: 6.725

4.  Normal modes of symmetric protein assemblies. Application to the tobacco mosaic virus protein disk.

Authors:  T Simonson; D Perahia
Journal:  Biophys J       Date:  1992-02       Impact factor: 4.033

5.  The importance of dynamics in substrate-assisted catalysis and specificity.

Authors:  Qin Xu; Haobo Guo; Alexander Wlodawer; Hong Guo
Journal:  J Am Chem Soc       Date:  2006-05-10       Impact factor: 15.419

6.  Minimalist explicit solvation models for surface loops in proteins.

Authors:  Ronald P White; Hagai Meirovitch
Journal:  J Chem Theory Comput       Date:  2006       Impact factor: 6.006

7.  Quantum mechanical/molecular mechanical simulation study of the mechanism of hairpin ribozyme catalysis.

Authors:  Kwangho Nam; Jiali Gao; Darrin M York
Journal:  J Am Chem Soc       Date:  2008-03-18       Impact factor: 15.419

8.  Extending the Fast Multipole Method for Charges inside a Dielectric Sphere in an Ionic Solvent: High Order Image Approximations for Reaction Fields.

Authors:  Shaozhong Deng; Wei Cai
Journal:  J Comput Phys       Date:  2007-12-10       Impact factor: 3.553

9.  Computer-aided drug design: a free energy perturbation study on the binding of methyl-substituted pterins and N5-deazapterins to dihydrofolate reductase.

Authors:  P L Cummins; J E Gready
Journal:  J Comput Aided Mol Des       Date:  1993-10       Impact factor: 3.686

10.  Progress toward chemical accuracy in the computer simulation of condensed phase reactions.

Authors:  P A Bash; L L Ho; A D MacKerell; D Levine; P Hallstrom
Journal:  Proc Natl Acad Sci U S A       Date:  1996-04-16       Impact factor: 11.205
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