Literature DB >> 26008760

Transition state theory for enzyme kinetics.

Donald G Truhlar1.   

Abstract

This article is an essay that discusses the concepts underlying the application of modern transition state theory to reactions in enzymes. Issues covered include the potential of mean force, the quantization of vibrations, the free energy of activation, and transmission coefficients to account for nonequilibrium effect, recrossing, and tunneling.
Copyright © 2015 Elsevier Inc. All rights reserved.

Entities:  

Keywords:  Enzyme kinetics; Free energy; Quantum effects; Transition state theory; Tunneling

Mesh：

Substances：

Year:  2015        PMID： 26008760      PMCID： PMC4555010          DOI： 10.1016/j.abb.2015.05.004

Source DB:  PubMed          Journal:  Arch Biochem Biophys        ISSN： 0003-9861            Impact factor:   4.013


  27 in total

Review 1.  The incorporation of quantum effects in enzyme kinetics modeling.

Authors:  Donald G Truhlar; Jiali Gao; Cristobal Alhambra; Mireia Garcia-Viloca; José Corchado; Maria Luz Sánchez; Jordi Villà
Journal:  Acc Chem Res       Date:  2002-06       Impact factor: 22.384

2.  Application of Grote-Hynes theory to the reaction catalyzed by thymidylate synthase.

Authors:  Natalia Kanaan; Maite Roca; Iñaki Tuñón; Sergio Martí; Vicent Moliner
Journal:  J Phys Chem B       Date:  2010-10-28       Impact factor: 2.991

3.  Practical Aspects of Free-Energy Calculations: A Review.

Authors:  Niels Hansen; Wilfred F van Gunsteren
Journal:  J Chem Theory Comput       Date:  2014-06-06       Impact factor: 6.006

4.  Linking electrostatic effects and protein motions in enzymatic catalysis. A theoretical analysis of catechol o-methyltransferase.

Authors:  Rafael García-Meseguer; Kirill Zinovjev; Maite Roca; Javier J Ruiz-Pernía; Iñaki Tuñón
Journal:  J Phys Chem B       Date:  2014-09-10       Impact factor: 2.991

Review 5.  Mechanisms and free energies of enzymatic reactions.

Authors:  Jiali Gao; Shuhua Ma; Dan T Major; Kwangho Nam; Jingzhi Pu; Donald G Truhlar
Journal:  Chem Rev       Date:  2006-08       Impact factor: 60.622

6.  Chemical kinetics and mechanisms of complex systems: a perspective on recent theoretical advances.

Authors:  Stephen J Klippenstein; Vijay S Pande; Donald G Truhlar
Journal:  J Am Chem Soc       Date:  2014-01-02       Impact factor: 15.419

7.  Communication: an existence test for dividing surfaces without recrossing.

Authors:  Ryan Gotchy Mullen; Joan-Emma Shea; Baron Peters
Journal:  J Chem Phys       Date:  2014-01-28       Impact factor: 3.488

8.  Multi-path variational transition state theory for chemical reaction rates of complex polyatomic species: ethanol + OH reactions.

Authors:  Jingjing Zheng; Donald G Truhlar
Journal:  Faraday Discuss       Date:  2012       Impact factor: 4.008

9.  Free-energy surfaces for liquid-phase reactions and their use to study the border between concerted and nonconcerted alpha,beta-elimination reactions of esters and thioesters.

Authors:  Yongho Kim; Jerry R Mohrig; Donald G Truhlar
Journal:  J Am Chem Soc       Date:  2010-08-18       Impact factor: 15.419

10.  Reaction-path energetics and kinetics of the hydride transfer reaction catalyzed by dihydrofolate reductase.

Authors:  Mireia Garcia-Viloca; Donald G Truhlar; Jiali Gao
Journal:  Biochemistry       Date:  2003-11-25       Impact factor: 3.162
View more
  6 in total

1.  Kinetics of low-temperature transitions and a reaction rate theory from non-equilibrium distributions.

Authors:  Vincenzo Aquilanti; Nayara Dantas Coutinho; Valter Henrique Carvalho-Silva
Journal:  Philos Trans A Math Phys Eng Sci       Date:  2017-04-28       Impact factor: 4.226

2.  Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase.

Authors:  Philip Pagano; Qi Guo; Chethya Ranasinghe; Evan Schroeder; Kevin Robben; Florian Häse; Hepeng Ye; Kyle Wickersham; Alán Aspuru-Guzik; Dan T Major; Lokesh Gakhar; Amnon Kohen; Christopher M Cheatum
Journal:  ACS Catal       Date:  2019-10-25       Impact factor: 13.084

3.  Oat bran and wheat bran impact net energy by shaping microbial communities and fermentation products in pigs fed diets with or without xylanase.

Authors:  Zhiqian Lyu; Li Wang; Jinrong Wang; Zhenyu Wang; Shuai Zhang; Junjun Wang; Jinlong Cheng; Changhua Lai
Journal:  J Anim Sci Biotechnol       Date:  2020-10-08

4.  Characterizing Active Site Conformational Heterogeneity along the Trajectory of an Enzymatic Phosphoryl Transfer Reaction.

Authors:  Cathleen Zeymer; Nicolas D Werbeck; Sabine Zimmermann; Jochen Reinstein; D Flemming Hansen
Journal:  Angew Chem Int Ed Engl       Date:  2016-08-18       Impact factor: 15.336

Review 5.  Selectins-The Two Dr. Jekyll and Mr. Hyde Faces of Adhesion Molecules-A Review.

Authors:  Igor Tvaroška; Chandrabose Selvaraj; Jaroslav Koča
Journal:  Molecules       Date:  2020-06-19       Impact factor: 4.411

6.  The Second Law of Thermodynamics as a Force Law.

Authors:  Jürgen Schlitter
Journal:  Entropy (Basel)       Date:  2018-03-28       Impact factor: 2.524
  6 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.