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 *

124 related articles for article (PubMed ID: 22504137)

  • 1. High-throughput molecular dynamics: the powerful new tool for drug discovery.
    Harvey MJ; De Fabritiis G
    Drug Discov Today; 2012 Oct; 17(19-20):1059-62. PubMed ID: 22504137
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Drug Discovery and Molecular Dynamics: Methods, Applications and Perspective Beyond the Second Timescale.
    Martínez-Rosell G; Giorgino T; Harvey MJ; de Fabritiis G
    Curr Top Med Chem; 2017; 17(23):2617-2625. PubMed ID: 28413955
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Accurately modeling nanosecond protein dynamics requires at least microseconds of simulation.
    Bowman GR
    J Comput Chem; 2016 Mar; 37(6):558-66. PubMed ID: 26077712
    [TBL] [Abstract][Full Text] [Related]  

  • 4. The impact of accelerator processors for high-throughput molecular modeling and simulation.
    Giupponi G; Harvey MJ; De Fabritiis G
    Drug Discov Today; 2008 Dec; 13(23-24):1052-8. PubMed ID: 18762274
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Frontiers in molecular dynamics simulations of DNA.
    Pérez A; Luque FJ; Orozco M
    Acc Chem Res; 2012 Feb; 45(2):196-205. PubMed ID: 21830782
    [TBL] [Abstract][Full Text] [Related]  

  • 6. BEAR, a novel virtual screening methodology for drug discovery.
    Degliesposti G; Portioli C; Parenti MD; Rastelli G
    J Biomol Screen; 2011 Jan; 16(1):129-33. PubMed ID: 21084717
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Long-timescale molecular dynamics simulations of protein structure and function.
    Klepeis JL; Lindorff-Larsen K; Dror RO; Shaw DE
    Curr Opin Struct Biol; 2009 Apr; 19(2):120-7. PubMed ID: 19361980
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Refinement of protein structure homology models via long, all-atom molecular dynamics simulations.
    Raval A; Piana S; Eastwood MP; Dror RO; Shaw DE
    Proteins; 2012 Aug; 80(8):2071-9. PubMed ID: 22513870
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Modelling and enhanced molecular dynamics to steer structure-based drug discovery.
    Kalyaanamoorthy S; Chen YP
    Prog Biophys Mol Biol; 2014 May; 114(3):123-36. PubMed ID: 23827463
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Importance of molecular computer modeling in anticancer drug development.
    Geromichalos GD
    J BUON; 2007 Sep; 12 Suppl 1():S101-18. PubMed ID: 17935268
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Computational approach to de novo discovery of fragment binding for novel protein states.
    Konteatis ZD; Klon AE; Zou J; Meshkat S
    Methods Enzymol; 2011; 493():357-80. PubMed ID: 21371598
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Reaching biological timescales with all-atom molecular dynamics simulations.
    Zwier MC; Chong LT
    Curr Opin Pharmacol; 2010 Dec; 10(6):745-52. PubMed ID: 20934381
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular dynamics-driven drug discovery: leaping forward with confidence.
    Ganesan A; Coote ML; Barakat K
    Drug Discov Today; 2017 Feb; 22(2):249-269. PubMed ID: 27890821
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Hybrid approaches to molecular simulation.
    Ho BK; Perahia D; Buckle AM
    Curr Opin Struct Biol; 2012 Jun; 22(3):386-93. PubMed ID: 22633678
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Computational chemistry in 25 years.
    Abagyan R
    J Comput Aided Mol Des; 2012 Jan; 26(1):9-10. PubMed ID: 22160588
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Studying functional dynamics in bio-molecules using accelerated molecular dynamics.
    Markwick PR; McCammon JA
    Phys Chem Chem Phys; 2011 Dec; 13(45):20053-65. PubMed ID: 22015376
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Connecting the virtual world of computers to the real world of medicinal chemistry.
    Glen RC
    Future Med Chem; 2011 Mar; 3(4):399-403. PubMed ID: 21452976
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Accelerating molecular modeling applications with graphics processors.
    Stone JE; Phillips JC; Freddolino PL; Hardy DJ; Trabuco LG; Schulten K
    J Comput Chem; 2007 Dec; 28(16):2618-40. PubMed ID: 17894371
    [TBL] [Abstract][Full Text] [Related]  

  • 19. High-throughput virtual screening lead to discovery of non-peptidic inhibitors of West Nile virus NS3 protease.
    Huang D
    Methods Mol Biol; 2012; 819():615-23. PubMed ID: 22183561
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in GROMACS 4.5.
    Abraham MJ; Gready JE
    J Comput Chem; 2011 Jul; 32(9):2031-40. PubMed ID: 21469158
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.