125 related articles for article (PubMed ID: 37061466)
1. A theory of chemical reactions in biomolecules in solution: Generalized Langevin mode analysis (GLMA).
Hirata F
J Chem Phys; 2023 Apr; 158(14):144108. PubMed ID: 37061466
[TBL] [Abstract][Full Text] [Related]
2. Structural Fluctuation, Relaxation, and Folding of Protein: An Approach Based on the Combined Generalized Langevin and RISM/3D-RISM Theories.
Hirata F
Molecules; 2023 Oct; 28(21):. PubMed ID: 37959769
[TBL] [Abstract][Full Text] [Related]
3. Realization of the structural fluctuation of biomolecules in solution: Generalized Langevin mode analysis.
Sugita M; Hirata F
J Comput Chem; 2023 Apr; 44(10):1031-1039. PubMed ID: 36594509
[TBL] [Abstract][Full Text] [Related]
4. Reaction coordinates for electron transfer reactions.
Rasaiah JC; Zhu J
J Chem Phys; 2008 Dec; 129(21):214503. PubMed ID: 19063565
[TBL] [Abstract][Full Text] [Related]
5. Equilibrium fluctuation relations for voltage coupling in membrane proteins.
Kim I; Warshel A
Biochim Biophys Acta; 2015 Nov; 1848(11 Pt A):2985-97. PubMed ID: 26290960
[TBL] [Abstract][Full Text] [Related]
6. Dynamic pathways to mediate reactions buried in thermal fluctuations. I. Time-dependent normal form theory for multidimensional Langevin equation.
Kawai S; Komatsuzaki T
J Chem Phys; 2009 Dec; 131(22):224505. PubMed ID: 20001055
[TBL] [Abstract][Full Text] [Related]
7. Estimating free-energy barrier heights for an ultrafast folding protein from calorimetric and kinetic data.
Godoy-Ruiz R; Henry ER; Kubelka J; Hofrichter J; Muñoz V; Sanchez-Ruiz JM; Eaton WA
J Phys Chem B; 2008 May; 112(19):5938-49. PubMed ID: 18278894
[TBL] [Abstract][Full Text] [Related]
8. The Reactivity of Ambident Nucleophiles: Marcus Theory or Hard and Soft Acids and Bases Principle?
Wang YG; Barnes EC; Kaya S; Sharma V
J Comput Chem; 2019 Dec; 40(31):2761-2777. PubMed ID: 31429098
[TBL] [Abstract][Full Text] [Related]
9. CO and O2 binding to pseudo-tetradentate ligand-copper(I) complexes with a variable N-donor moiety: kinetic/thermodynamic investigation reveals ligand-induced changes in reaction mechanism.
Lucas HR; Meyer GJ; Karlin KD
J Am Chem Soc; 2010 Sep; 132(37):12927-40. PubMed ID: 20726586
[TBL] [Abstract][Full Text] [Related]
10. THE NATURE AND CONTROL OF REACTIONS IN BIOLUMINESCENCE : WITH SPECIAL REFERENCE TO THE MECHANISM OF REVERSIBLE AND IRREVERSIBLE INHIBITIONS BY HYDROGEN AND HYDROXYL IONS, TEMPERATURE, PRESSURE, ALCOHOL, URETHANE, AND SULFANILAMIDE IN BACTERIA.
Johnson FH; Eyring H; Steblay R; Chaplin H; Huber C; Gherardi G
J Gen Physiol; 1945 May; 28(5):463-537. PubMed ID: 19873433
[TBL] [Abstract][Full Text] [Related]
11. Dynamic reaction coordinate in thermally fluctuating environment in the framework of the multidimensional generalized Langevin equations.
Kawai S; Komatsuzaki T
Phys Chem Chem Phys; 2010 Dec; 12(47):15382-91. PubMed ID: 20963208
[TBL] [Abstract][Full Text] [Related]
12. [2+3] Cycloaddition of ethylene to transition metal oxo compounds. analysis of density functional results by marcus theory.
Gisdakis P; Rösch N
J Am Chem Soc; 2001 Jan; 123(4):697-701. PubMed ID: 11456583
[TBL] [Abstract][Full Text] [Related]
13. Differences in the Abilities to Mechanically Eliminate Activation Energies for Unimolecular and Bimolecular Reactions.
Kochhar GS; Mosey NJ
Sci Rep; 2016 Mar; 6():23059. PubMed ID: 26972114
[TBL] [Abstract][Full Text] [Related]
14. Golden rule kinetics of transfer reactions in condensed phase: the microscopic model of electron transfer reactions in disordered solid matrices.
Basilevsky MV; Odinokov AV; Titov SV; Mitina EA
J Chem Phys; 2013 Dec; 139(23):234102. PubMed ID: 24359347
[TBL] [Abstract][Full Text] [Related]
15. Theory of reversible electron transfer reactions in a condensed phase.
Dhole K; Modak B; Samanta A; Ghosh SK
Phys Rev E Stat Nonlin Soft Matter Phys; 2010 Jul; 82(1 Pt 2):016110. PubMed ID: 20866692
[TBL] [Abstract][Full Text] [Related]
16. Why and how do systems react in thermally fluctuating environments?
Kawai S; Komatsuzaki T
Phys Chem Chem Phys; 2011 Dec; 13(48):21217-29. PubMed ID: 22048614
[TBL] [Abstract][Full Text] [Related]
17. A molecular density functional theory approach to electron transfer reactions.
Jeanmairet G; Rotenberg B; Levesque M; Borgis D; Salanne M
Chem Sci; 2019 Feb; 10(7):2130-2143. PubMed ID: 30881637
[TBL] [Abstract][Full Text] [Related]
18. Free energy calculation using molecular dynamics simulation combined with the three-dimensional reference interaction site model theory. II. Thermodynamic integration along a spatial reaction coordinate.
Miyata T; Ikuta Y; Hirata F
J Chem Phys; 2011 Jan; 134(4):044127. PubMed ID: 21280707
[TBL] [Abstract][Full Text] [Related]
19. Non-Markovian rate theory on a multidimensional reaction surface: Complex interplay between enhanced configuration space and memory.
Acharya S; Bagchi B
J Chem Phys; 2022 Apr; 156(13):134101. PubMed ID: 35395878
[TBL] [Abstract][Full Text] [Related]
20. Electrode redox reactions with polarizable molecules.
Matyushov DV
J Chem Phys; 2018 Apr; 148(15):154501. PubMed ID: 29679972
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]