Literature DB >> 6582500

Dynamics of enzymatic reactions.

A Warshel.   

Abstract

The detailed molecular dynamics of an actual bond-breaking event in a fluctuating enzyme substrate complex is simulated. The method developed allows one to explore what type of fluctuations are involved in enzymatic reactions and to evaluate entropic contributions to enzyme catalysis. The fluctuations of the enzyme electrostatic potential are found to be a key dynamical factor in reactions that involve a large change in the polarity of the reacting bonds.

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Year:  1984        PMID： 6582500      PMCID： PMC344693          DOI： 10.1073/pnas.81.2.444

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN： 0027-8424            Impact factor:   11.205


  10 in total

1.  Bicycle-pedal model for the first step in the vision process.

Authors:  A Warshel
Journal:  Nature       Date:  1976-04-22       Impact factor: 49.962

2.  Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme.

Authors:  A Warshel; M Levitt
Journal:  J Mol Biol       Date:  1976-05-15       Impact factor: 5.469

3.  Dynamics of activated processes in globular proteins.

Authors:  J A McCammon; M Karplus
Journal:  Proc Natl Acad Sci U S A       Date:  1979-08       Impact factor: 11.205

Review 4.  Enzyme dynamics: the statistical physics approach.

Authors:  G Careri; P Fasella; E Gratton
Journal:  Annu Rev Biophys Bioeng       Date:  1979

5.  Temperature-dependent X-ray diffraction as a probe of protein structural dynamics.

Authors:  H Frauenfelder; G A Petsko; D Tsernoglou
Journal:  Nature       Date:  1979-08-16       Impact factor: 49.962

Review 6.  The internal dynamics of globular proteins.

Authors:  M Karplus; J A McCammon
Journal:  CRC Crit Rev Biochem       Date:  1981

7.  Molecular dynamics of hydrogen bonds in bovine pancreatic trypsin inhibitor protein.

Authors:  M Levitt
Journal:  Nature       Date:  1981-11-26       Impact factor: 49.962

8.  Calculations of enzymatic reactions: calculations of pKa, proton transfer reactions, and general acid catalysis reactions in enzymes.

Authors:  A Warshel
Journal:  Biochemistry       Date:  1981-05-26       Impact factor: 3.162

9.  The three-dimensional structure of an enzyme molecule.

Authors:  D C Phillips
Journal:  Sci Am       Date:  1966-11       Impact factor: 2.142

10.  Viscosity-dependent structural fluctuations in enzyme catalysis.

Authors:  B Gavish; M M Werber
Journal:  Biochemistry       Date:  1979-04-03       Impact factor: 3.162
  10 in total
  31 in total

1.  Convex Arrhenius plots and their interpretation.

Authors:  D Truhlar; A Kohen
Journal:  Proc Natl Acad Sci U S A       Date:  2001-01-30       Impact factor: 11.205

2.  What really prevents proton transport through aquaporin? Charge self-energy versus proton wire proposals.

Authors:  Anton Burykin; Arieh Warshel
Journal:  Biophys J       Date:  2003-12       Impact factor: 4.033

3.  Transition state theory can be used in studies of enzyme catalysis: lessons from simulations of tunnelling and dynamical effects in lipoxygenase and other systems.

Authors:  Mats H M Olsson; Janez Mavri; Arieh Warshel
Journal:  Philos Trans R Soc Lond B Biol Sci       Date:  2006-08-29       Impact factor: 6.237

Review 4.  Multidimensional tunneling, recrossing, and the transmission coefficient for enzymatic reactions.

Authors:  Jingzhi Pu; Jiali Gao; Donald G Truhlar
Journal:  Chem Rev       Date:  2006-08       Impact factor: 60.622

5.  Evolution Conserves the Network of Coupled Residues in Dihydrofolate Reductase.

Authors:  Jiayue Li; Gabriel Fortunato; Jennifer Lin; Pratul K Agarwal; Amnon Kohen; Priyanka Singh; Christopher M Cheatum
Journal:  Biochemistry       Date:  2019-08-30       Impact factor: 3.162

6.  Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions.

Authors:  Andrew J Adamczyk; Jie Cao; Shina C L Kamerlin; Arieh Warshel
Journal:  Proc Natl Acad Sci U S A       Date:  2011-08-10       Impact factor: 11.205

7.  Two dimensional diffusion of small molecules on protein surfaces: an EPR study of the restricted translational diffusion of protein-bound spin labels.

Authors:  O Dombrowsky; C Karin; C Schneiderhahn
Journal:  Eur Biophys J       Date:  1991       Impact factor: 1.733

8.  Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.

Authors:  Michael R Duff; Jose M Borreguero; Matthew J Cuneo; Arvind Ramanathan; Junhong He; Ganesh Kamath; S Chakra Chennubhotla; Flora Meilleur; Elizabeth E Howell; Kenneth W Herwig; Dean A A Myles; Pratul K Agarwal
Journal:  Biochemistry       Date:  2018-07-06       Impact factor: 3.162

9.  The energetics of the primary proton transfer in bacteriorhodopsin revisited: it is a sequential light-induced charge separation after all.

Authors:  Sonja Braun-Sand; Pankaz K Sharma; Zhen T Chu; Andrei V Pisliakov; Arieh Warshel
Journal:  Biochim Biophys Acta       Date:  2008-03-14

Review 10.  Progress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins: accelerated QM/MM studies of pKa, redox reactions and solvation free energies.

Authors:  Shina C L Kamerlin; Maciej Haranczyk; Arieh Warshel
Journal:  J Phys Chem B       Date:  2009-02-05       Impact factor: 2.991
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