Studying chemical reactions in biological systems with MBN Explorer: implementation of molecular mechanics with dynamical topology

被引：0

作者：

Gennady B. Sushko

Ilia A. Solov’yov

Alexey V. Verkhovtsev

Sergey N. Volkov

Andrey V. Solov’yov

机构：

[1] Goethe-Universität Frankfurt am Main,

[2] MBN Research Center,undefined

[3] Altenhöferallee 3,undefined

[4] University of Southern Denmark (SDU),undefined

[5] A.F. Ioffe Physical-Technical Institute,undefined

[6] Bogolyubov Institute for Theoretical Physics,undefined

来源：

The European Physical Journal D | 2016年 / 70卷

关键词：

Covalent Bond; Water Splitting; Harmonic Approximation; Morse Potential; Valence Angle;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

引用

共 50 条

[21] Implementation of chemical and biological protection compounds of different chemical and/or biological groups against Whiteflies in IPM systems
Sterk, Guido
De Veire, M. Van
Put, K.
JOURNAL OF INSECT SCIENCE, 2008, 8 : 46 - 46
[22] Free energies of chemical reactions in solution and in enzymes with ab initio quantum mechanics/molecular mechanics methods
Hu, Hao
Yang, Weitao
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 2008, 59 : 573 - 601
[23] Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis
Friesner, RA
Guallar, V
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 2005, 56 : 389 - 427
[24] Light-Controlled Chemical Reactions and Their Applications in Biological Systems
Lee, Jeeyeon
ASIAN JOURNAL OF ORGANIC CHEMISTRY, 2014, 3 (08) : 830 - 837
[25] On velocity of molecular and chemical reactions in heterogeneous systems.
Wilderman, Meyer
PHILOSOPHICAL MAGAZINE, 1909, 18 (103-08) : 538 - 577
[26] QUANTUM DYNAMICAL RESONANCES IN CHEMICAL REACTIONS: FROM A+BC TO POLYATOMIC SYSTEMS
Liu, Kopin
ADVANCES IN CHEMICAL PHYSICS, VOL 149, 2012, 149 : 1 - 46
[27] Heat Flow, Work Energy, Chemical Reactions, and Thermodynamics: A Dynamical Systems Perspective
Haddad, Wassim M.
Nersesov, Sergey G.
Chellaboina, VijaySekhar
2010 AMERICAN CONTROL CONFERENCE, 2010, : 1196 - 1203
[28] Quantum mechanics of electro-nuclear systems towards a theory of chemical reactions
Tapia, O
NEW TRENDS IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, VOL 2: ADVANCED PROBLEMS AND COMPLEX SYSTEMS, 2001, 7 : 23 - 47
[29] Molecular mechanics for chemical reactions: A standard strategy for using multiconfiguration molecular mechanics for variational transition state theory with optimized multidimensional tunneling
Albu, TV
Corchado, JC
Truhlar, DG
JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (37): : 8465 - 8487
[30] Quantum Mechanical-Molecular Mechanical Approaches for Studying Chemical Reactions in Proteins and Solution
Bentzien, Jorg
Florian, Jan
Glennon, Timothy M.
Warshel, Arieh
ACS Symposium Series, 712 : 16 - 34

← 1 2 3 4 5 →