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 *

113 related articles for article (PubMed ID: 30849916)

  • 1. Improving collective variables: The case of crystallization.
    Zhang YY; Niu H; Piccini G; Mendels D; Parrinello M
    J Chem Phys; 2019 Mar; 150(9):094509. PubMed ID: 30849916
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A variational conformational dynamics approach to the selection of collective variables in metadynamics.
    McCarty J; Parrinello M
    J Chem Phys; 2017 Nov; 147(20):204109. PubMed ID: 29195289
    [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. Blind Search for Complex Chemical Pathways Using Harmonic Linear Discriminant Analysis.
    Rizzi V; Mendels D; Sicilia E; Parrinello M
    J Chem Theory Comput; 2019 Aug; 15(8):4507-4515. PubMed ID: 31314521
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Folding a small protein using harmonic linear discriminant analysis.
    Mendels D; Piccini G; Brotzakis ZF; Yang YI; Parrinello M
    J Chem Phys; 2018 Nov; 149(19):194113. PubMed ID: 30466286
    [TBL] [Abstract][Full Text] [Related]  

  • 6. From metadynamics to dynamics.
    Tiwary P; Parrinello M
    Phys Rev Lett; 2013 Dec; 111(23):230602. PubMed ID: 24476246
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Collective Variables from Local Fluctuations.
    Mendels D; Piccini G; Parrinello M
    J Phys Chem Lett; 2018 Jun; 9(11):2776-2781. PubMed ID: 29733652
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Enhanced Sampling of Protein Conformational Transitions via Dynamically Optimized Collective Variables.
    Brotzakis ZF; Parrinello M
    J Chem Theory Comput; 2019 Feb; 15(2):1393-1398. PubMed ID: 30557019
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Identifying Slow Molecular Motions in Complex Chemical Reactions.
    Piccini G; Polino D; Parrinello M
    J Phys Chem Lett; 2017 Sep; 8(17):4197-4200. PubMed ID: 28829135
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics.
    Awasthi S; Kapil V; Nair NN
    J Comput Chem; 2016 Jun; 37(16):1413-24. PubMed ID: 27059305
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Deep learning the slow modes for rare events sampling.
    Bonati L; Piccini G; Parrinello M
    Proc Natl Acad Sci U S A; 2021 Nov; 118(44):. PubMed ID: 34706940
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint.
    Valsson O; Tiwary P; Parrinello M
    Annu Rev Phys Chem; 2016 May; 67():159-84. PubMed ID: 26980304
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Data-Driven Collective Variables for Enhanced Sampling.
    Bonati L; Rizzi V; Parrinello M
    J Phys Chem Lett; 2020 Apr; 11(8):2998-3004. PubMed ID: 32239945
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Making the Best of a Bad Situation: A Multiscale Approach to Free Energy Calculation.
    Invernizzi M; Parrinello M
    J Chem Theory Comput; 2019 Apr; 15(4):2187-2194. PubMed ID: 30822383
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Collective variables for the study of long-time kinetics from molecular trajectories: theory and methods.
    NoƩ F; Clementi C
    Curr Opin Struct Biol; 2017 Apr; 43():141-147. PubMed ID: 28327454
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Molecular dynamics simulations of liquid silica crystallization.
    Niu H; Piaggi PM; Invernizzi M; Parrinello M
    Proc Natl Acad Sci U S A; 2018 May; 115(21):5348-5352. PubMed ID: 29735667
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Transfer Learning from Markov Models Leads to Efficient Sampling of Related Systems.
    Sultan MM; Pande VS
    J Phys Chem B; 2018 May; 122(21):5291-5299. PubMed ID: 28938073
    [TBL] [Abstract][Full Text] [Related]  

  • 18. tICA-Metadynamics: Accelerating Metadynamics by Using Kinetically Selected Collective Variables.
    M Sultan M; Pande VS
    J Chem Theory Comput; 2017 Jun; 13(6):2440-2447. PubMed ID: 28383914
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials.
    Pampel B; Valsson O
    J Chem Theory Comput; 2022 Jul; 18(7):4127-4141. PubMed ID: 35762642
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Molecular dynamics based enhanced sampling of collective variables with very large time steps.
    Chen PY; Tuckerman ME
    J Chem Phys; 2018 Jan; 148(2):024106. PubMed ID: 29331137
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.