These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

156 related articles for article (PubMed ID: 27813415)

  • 1. Hierarchical Protein Free Energy Landscapes from Variationally Enhanced Sampling.
    Shaffer P; Valsson O; Parrinello M
    J Chem Theory Comput; 2016 Dec; 12(12):5751-5757. PubMed ID: 27813415
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolin.
    Shaffer P; Valsson O; Parrinello M
    Proc Natl Acad Sci U S A; 2016 Feb; 113(5):1150-5. PubMed ID: 26787868
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Refining Collective Coordinates and Improving Free Energy Representation in Variational Enhanced Sampling.
    Yang YI; Parrinello M
    J Chem Theory Comput; 2018 Jun; 14(6):2889-2894. PubMed ID: 29715017
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Exploring the folding free energy landscape of a β-hairpin miniprotein, chignolin, using multiscale free energy landscape calculation method.
    Harada R; Kitao A
    J Phys Chem B; 2011 Jul; 115(27):8806-12. PubMed ID: 21648487
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Mapping potential energy surfaces.
    Wu Y; Schmitt JD; Car R
    J Chem Phys; 2004 Jul; 121(3):1193-200. PubMed ID: 15260660
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Enhanced free-energy calculation using multiscale simulation.
    Shimoyama H; Yonezawa Y; Nakamura H
    J Chem Phys; 2010 Oct; 133(13):135101. PubMed ID: 20942558
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. II. Backbone-local potentials of coarse-grained O1→4-bonded polyglucose chains.
    Lubecka EA; Liwo A
    J Chem Phys; 2017 Sep; 147(11):115101. PubMed ID: 28938819
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Scalable free energy calculation of proteins via multiscale essential sampling.
    Moritsugu K; Terada T; Kidera A
    J Chem Phys; 2010 Dec; 133(22):224105. PubMed ID: 21171681
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Heating and flooding: a unified approach for rapid generation of free energy surfaces.
    Chen M; Cuendet MA; Tuckerman ME
    J Chem Phys; 2012 Jul; 137(2):024102. PubMed ID: 22803523
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Neural networks-based variationally enhanced sampling.
    Bonati L; Zhang YY; Parrinello M
    Proc Natl Acad Sci U S A; 2019 Sep; 116(36):17641-17647. PubMed ID: 31416918
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Coarse graining from variationally enhanced sampling applied to the Ginzburg-Landau model.
    Invernizzi M; Valsson O; Parrinello M
    Proc Natl Acad Sci U S A; 2017 Mar; 114(13):3370-3374. PubMed ID: 28292890
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Replica-Exchange Umbrella Sampling Combined with Gaussian Accelerated Molecular Dynamics for Free-Energy Calculation of Biomolecules.
    Oshima H; Re S; Sugita Y
    J Chem Theory Comput; 2019 Oct; 15(10):5199-5208. PubMed ID: 31539245
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Sampling saddle points on a free energy surface.
    Samanta A; Chen M; Yu TQ; Tuckerman M; E W
    J Chem Phys; 2014 Apr; 140(16):164109. PubMed ID: 24784255
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Separation of time scale and coupling in the motion governed by the coarse-grained and fine degrees of freedom in a polypeptide backbone.
    Murarka RK; Liwo A; Scheraga HA
    J Chem Phys; 2007 Oct; 127(15):155103. PubMed ID: 17949219
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Recipes for free energy calculations in biomolecular systems.
    Moradi M; Babin V; Sagui C; Roland C
    Methods Mol Biol; 2013; 924():313-37. PubMed ID: 23034754
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Bespoke Bias for Obtaining Free Energy Differences within Variationally Enhanced Sampling.
    McCarty J; Valsson O; Parrinello M
    J Chem Theory Comput; 2016 May; 12(5):2162-9. PubMed ID: 27057791
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Deconstructing the native state: energy landscapes, function, and dynamics of globular proteins.
    Zhuravlev PI; Materese CK; Papoian GA
    J Phys Chem B; 2009 Jul; 113(26):8800-12. PubMed ID: 19453123
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Population based reweighting of scaled molecular dynamics.
    Sinko W; Miao Y; de Oliveira CA; McCammon JA
    J Phys Chem B; 2013 Oct; 117(42):12759-68. PubMed ID: 23721224
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Smart resolution replica exchange: an efficient algorithm for exploring complex energy landscapes.
    Liu P; Voth GA
    J Chem Phys; 2007 Jan; 126(4):045106. PubMed ID: 17286516
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites.
    Rzepiela AJ; Louhivuori M; Peter C; Marrink SJ
    Phys Chem Chem Phys; 2011 Jun; 13(22):10437-48. PubMed ID: 21494747
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.