163 related articles for article (PubMed ID: 23406099)
1. Structural fluctuation of protein in water around its native state: a new statistical mechanics formulation.
Kim B; Hirata F
J Chem Phys; 2013 Feb; 138(5):054108. PubMed ID: 23406099
[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. Partial molar volume of proteins studied by the three-dimensional reference interaction site model theory.
Imai T; Kovalenko A; Hirata F
J Phys Chem B; 2005 Apr; 109(14):6658-65. PubMed ID: 16851748
[TBL] [Abstract][Full Text] [Related]
4. A New Approach for Investigating the Molecular Recognition of Protein: Toward Structure-Based Drug Design Based on the 3D-RISM Theory.
Kiyota Y; Yoshida N; Hirata F
J Chem Theory Comput; 2011 Nov; 7(11):3803-15. PubMed ID: 26598271
[TBL] [Abstract][Full Text] [Related]
5. Structural fluctuation of proteins induced by thermodynamic perturbation.
Hirata F; Akasaka K
J Chem Phys; 2015 Jan; 142(4):044110. PubMed ID: 25637972
[TBL] [Abstract][Full Text] [Related]
6. A highly parallelizable integral equation theory for three dimensional solvent distribution function: application to biomolecules.
Yokogawa D; Sato H; Imai T; Sakaki S
J Chem Phys; 2009 Feb; 130(6):064111. PubMed ID: 19222271
[TBL] [Abstract][Full Text] [Related]
7. An integral equation theory for inhomogeneous molecular fluids: the reference interaction site model approach.
Ishizuka R; Chong SH; Hirata F
J Chem Phys; 2008 Jan; 128(3):034504. PubMed ID: 18205507
[TBL] [Abstract][Full Text] [Related]
8. Molecular recognition in biomolecules studied by statistical-mechanical integral-equation theory of liquids.
Yoshida N; Imai T; Phongphanphanee S; Kovalenko A; Hirata F
J Phys Chem B; 2009 Jan; 113(4):873-86. PubMed ID: 19105732
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. Theoretical study on aquation reaction of cis-platin complex: RISM-SCF-SEDD, a hybrid approach of accurate quantum chemical method and statistical mechanics.
Yokogawa D; Ono K; Sato H; Sakaki S
Dalton Trans; 2011 Nov; 40(42):11125-30. PubMed ID: 21837319
[TBL] [Abstract][Full Text] [Related]
11. Aqueous interaction site integral-equation theory that exactly takes into account intramolecular correlations.
Chong SH; Ham S
J Chem Phys; 2012 Oct; 137(15):154101. PubMed ID: 23083142
[TBL] [Abstract][Full Text] [Related]
12. Theory for non-equilibrium statistical mechanics.
Attard P
Phys Chem Chem Phys; 2006 Aug; 8(31):3585-611. PubMed ID: 16883388
[TBL] [Abstract][Full Text] [Related]
13. Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model.
Vorobjev YN; Almagro JC; Hermans J
Proteins; 1998 Sep; 32(4):399-413. PubMed ID: 9726412
[TBL] [Abstract][Full Text] [Related]
14. Localization and visualization of excess chemical potential in statistical mechanical integral equation theory 3D-HNC-RISM.
Du QS; Liu PJ; Huang RB
J Mol Graph Model; 2008 Feb; 26(6):1014-9. PubMed ID: 17913525
[TBL] [Abstract][Full Text] [Related]
15. Dynamic linear response theory for conformational relaxation of proteins.
Essiz SG; Coalson RD
J Phys Chem B; 2009 Aug; 113(31):10859-69. PubMed ID: 19606824
[TBL] [Abstract][Full Text] [Related]
16. An application of coupled reference interaction site model/molecular dynamics to the conformational analysis of the alanine dipeptide.
Freedman H; Truong TN
J Chem Phys; 2004 Dec; 121(24):12447-56. PubMed ID: 15606265
[TBL] [Abstract][Full Text] [Related]
17. A molecular theory of the structural dynamics of protein induced by a perturbation.
Hirata F
J Chem Phys; 2016 Dec; 145(23):234106. PubMed ID: 28010110
[TBL] [Abstract][Full Text] [Related]
18. Distinguishing native conformations of proteins from decoys with an effective free energy estimator based on the OPLS all-atom force field and the Surface Generalized Born solvent model.
Felts AK; Gallicchio E; Wallqvist A; Levy RM
Proteins; 2002 Aug; 48(2):404-22. PubMed ID: 12112706
[TBL] [Abstract][Full Text] [Related]
19. Comparison of a QM/MM force field and molecular mechanics force fields in simulations of alanine and glycine "dipeptides" (Ace-Ala-Nme and Ace-Gly-Nme) in water in relation to the problem of modeling the unfolded peptide backbone in solution.
Hu H; Elstner M; Hermans J
Proteins; 2003 Feb; 50(3):451-63. PubMed ID: 12557187
[TBL] [Abstract][Full Text] [Related]
20. Multidimensional Langevin modeling of biomolecular dynamics.
Hegger R; Stock G
J Chem Phys; 2009 Jan; 130(3):034106. PubMed ID: 19173509
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
