289 related articles for article (PubMed ID: 22025687)
1. Nonequilibrium candidate Monte Carlo is an efficient tool for equilibrium simulation.
Nilmeier JP; Crooks GE; Minh DD; Chodera JD
Proc Natl Acad Sci U S A; 2011 Nov; 108(45):E1009-18. PubMed ID: 22025687
[TBL] [Abstract][Full Text] [Related]
2. Nonequilibrium Candidate Monte Carlo Simulations with Configurational Freezing Schemes.
Giovannelli E; Gellini C; Pietraperzia G; Cardini G; Chelli R
J Chem Theory Comput; 2014 Oct; 10(10):4273-83. PubMed ID: 26588124
[TBL] [Abstract][Full Text] [Related]
3. Generalized Metropolis acceptance criterion for hybrid non-equilibrium molecular dynamics-Monte Carlo simulations.
Chen Y; Roux B
J Chem Phys; 2015 Jan; 142(2):024101. PubMed ID: 25591332
[TBL] [Abstract][Full Text] [Related]
4. Configurational Sampling of All-Atom Solvated Membranes Using Hybrid Nonequilibrium Molecular Dynamics Monte Carlo Simulations.
Szczepaniak F; Dehez F; Roux B
J Phys Chem Lett; 2024 Apr; 15(14):3796-3804. PubMed ID: 38557030
[TBL] [Abstract][Full Text] [Related]
5. Constant-pH Hybrid Nonequilibrium Molecular Dynamics-Monte Carlo Simulation Method.
Chen Y; Roux B
J Chem Theory Comput; 2015 Aug; 11(8):3919-31. PubMed ID: 26300709
[TBL] [Abstract][Full Text] [Related]
6. Nonequilibrium dynamics and umbrella sampling.
Williams SR; Evans DJ
Phys Rev Lett; 2010 Sep; 105(11):110601. PubMed ID: 20867558
[TBL] [Abstract][Full Text] [Related]
7. DICE: A Monte Carlo Code for Molecular Simulation Including the Configurational Bias Monte Carlo Method.
Cezar HM; Canuto S; Coutinho K
J Chem Inf Model; 2020 Jul; 60(7):3472-3488. PubMed ID: 32470296
[TBL] [Abstract][Full Text] [Related]
8. Enhancing water sampling of buried binding sites using nonequilibrium candidate Monte Carlo.
Bergazin TD; Ben-Shalom IY; Lim NM; Gill SC; Gilson MK; Mobley DL
J Comput Aided Mol Des; 2021 Feb; 35(2):167-177. PubMed ID: 32968887
[TBL] [Abstract][Full Text] [Related]
9. Entropy-energy decomposition from nonequilibrium work trajectories.
Nummela J; Yassin F; Andricioaei I
J Chem Phys; 2008 Jan; 128(2):024104. PubMed ID: 18205440
[TBL] [Abstract][Full Text] [Related]
10. Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo.
Ge Y; Melling OJ; Dong W; Essex JW; Mobley DL
J Comput Aided Mol Des; 2022 Oct; 36(10):767-779. PubMed ID: 36198874
[TBL] [Abstract][Full Text] [Related]
11. Ordering in granular-rod monolayers driven far from thermodynamic equilibrium.
Müller T; de las Heras D; Rehberg I; Huang K
Phys Rev E Stat Nonlin Soft Matter Phys; 2015 Jun; 91(6):062207. PubMed ID: 26172705
[TBL] [Abstract][Full Text] [Related]
12. Enhanced Sampling of an Atomic Model with Hybrid Nonequilibrium Molecular Dynamics-Monte Carlo Simulations Guided by a Coarse-Grained Model.
Chen Y; Roux B
J Chem Theory Comput; 2015 Aug; 11(8):3572-83. PubMed ID: 26574442
[TBL] [Abstract][Full Text] [Related]
13. Driving Structural Transitions in Molecular Simulations Using the Nonequilibrium Candidate Monte Carlo.
Kurut A; Fonseca R; Boomsma W
J Phys Chem B; 2018 Jan; 122(3):1195-1204. PubMed ID: 29260565
[TBL] [Abstract][Full Text] [Related]
14. Replica exchange and expanded ensemble simulations as Gibbs sampling: simple improvements for enhanced mixing.
Chodera JD; Shirts MR
J Chem Phys; 2011 Nov; 135(19):194110. PubMed ID: 22112069
[TBL] [Abstract][Full Text] [Related]
15. A Note on the Effects of Linear Topology Preservation in Monte Carlo Simulations of Knotted Proteins.
Especial JNC; Rey A; Faísca PFN
Int J Mol Sci; 2022 Nov; 23(22):. PubMed ID: 36430350
[TBL] [Abstract][Full Text] [Related]
16. Statistical mechanical theory for steady state systems. V. Nonequilibrium probability density.
Attard P
J Chem Phys; 2006 Jun; 124(22):224103. PubMed ID: 16784259
[TBL] [Abstract][Full Text] [Related]
17. Efficient hybrid non-equilibrium molecular dynamics--Monte Carlo simulations with symmetric momentum reversal.
Chen Y; Roux B
J Chem Phys; 2014 Sep; 141(11):114107. PubMed ID: 25240345
[TBL] [Abstract][Full Text] [Related]
18. Counting solutions for the N -queens and Latin-square problems by Monte Carlo simulations.
Zhang C; Ma J
Phys Rev E Stat Nonlin Soft Matter Phys; 2009 Jan; 79(1 Pt 2):016703. PubMed ID: 19257162
[TBL] [Abstract][Full Text] [Related]
19. Multiparticle moves in acceptance rate optimized Monte Carlo.
Neumann T; Danilov D; Wenzel W
J Comput Chem; 2015 Nov; 36(30):2236-45. PubMed ID: 26459216
[TBL] [Abstract][Full Text] [Related]
20. Biomolecular Simulations under Realistic Macroscopic Salt Conditions.
Ross GA; Rustenburg AS; Grinaway PB; Fass J; Chodera JD
J Phys Chem B; 2018 May; 122(21):5466-5486. PubMed ID: 29649876
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
