BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

223 related articles for article (PubMed ID: 20340109)

  • 1. ForceFit: a code to fit classical force fields to quantum mechanical potential energy surfaces.
    Waldher B; Kuta J; Chen S; Henson N; Clark AE
    J Comput Chem; 2010 Sep; 31(12):2307-16. PubMed ID: 20340109
    [TBL] [Abstract][Full Text] [Related]  

  • 2. An algorithm for the study of DNA sequence evolution based on the genetic code.
    Sirakoulis GCh; Karafyllidis I; Sandaltzopoulos R; Tsalides P; Thanailakis A
    Biosystems; 2004 Nov; 77(1-3):11-23. PubMed ID: 15527941
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Quantum mechanics/molecular mechanics minimum free-energy path for accurate reaction energetics in solution and enzymes: sequential sampling and optimization on the potential of mean force surface.
    Hu H; Lu Z; Parks JM; Burger SK; Yang W
    J Chem Phys; 2008 Jan; 128(3):034105. PubMed ID: 18205486
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A molecular mechanics force field for lignin.
    Petridis L; Smith JC
    J Comput Chem; 2009 Feb; 30(3):457-67. PubMed ID: 18677707
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations.
    Mackerell AD; Feig M; Brooks CL
    J Comput Chem; 2004 Aug; 25(11):1400-15. PubMed ID: 15185334
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Melanie II--a third-generation software package for analysis of two-dimensional electrophoresis images: I. Features and user interface.
    Appel RD; Palagi PM; Walther D; Vargas JR; Sanchez JC; Ravier F; Pasquali C; Hochstrasser DF
    Electrophoresis; 1997 Dec; 18(15):2724-34. PubMed ID: 9504804
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The implementation of a fast and accurate QM/MM potential method in Amber.
    Walker RC; Crowley MF; Case DA
    J Comput Chem; 2008 May; 29(7):1019-31. PubMed ID: 18072177
    [TBL] [Abstract][Full Text] [Related]  

  • 8. RedMD--reduced molecular dynamics package.
    Górecki A; Szypowski M; Długosz M; Trylska J
    J Comput Chem; 2009 Nov; 30(14):2364-73. PubMed ID: 19247989
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Modelling molecule-surface interactions--an automated quantum-classical approach using a genetic algorithm.
    Herbers CR; Johnston K; van der Vegt NF
    Phys Chem Chem Phys; 2011 Jun; 13(22):10577-83. PubMed ID: 21594260
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A new force field (ECEPP-05) for peptides, proteins, and organic molecules.
    Arnautova YA; Jagielska A; Scheraga HA
    J Phys Chem B; 2006 Mar; 110(10):5025-44. PubMed ID: 16526746
    [TBL] [Abstract][Full Text] [Related]  

  • 11. MOLS--a program to explore the potential energy surface of a peptide and locate its low energy conformations.
    Prasad PA; Vengadesan K; Gautham N
    In Silico Biol; 2005; 5(4):401-5. PubMed ID: 16268784
    [TBL] [Abstract][Full Text] [Related]  

  • 12. TmoleX--a graphical user interface for TURBOMOLE.
    Steffen C; Thomas K; Huniar U; Hellweg A; Rubner O; Schroer A
    J Comput Chem; 2010 Dec; 31(16):2967-70. PubMed ID: 20928852
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Reaction path potential for complex systems derived from combined ab initio quantum mechanical and molecular mechanical calculations.
    Lu Z; Yang W
    J Chem Phys; 2004 Jul; 121(1):89-100. PubMed ID: 15260525
    [TBL] [Abstract][Full Text] [Related]  

  • 14. MARVIN: a medical research application framework based on open source software.
    Rudolph T; Puls M; Anderegg C; Ebert L; Broehan M; Rudin A; Kowal J
    Comput Methods Programs Biomed; 2008 Aug; 91(2):165-74. PubMed ID: 18541330
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Bsoft: image processing and molecular modeling for electron microscopy.
    Heymann JB; Belnap DM
    J Struct Biol; 2007 Jan; 157(1):3-18. PubMed ID: 17011211
    [TBL] [Abstract][Full Text] [Related]  

  • 16. REDCAT: a residual dipolar coupling analysis tool.
    Valafar H; Prestegard JH
    J Magn Reson; 2004 Apr; 167(2):228-41. PubMed ID: 15040978
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data.
    Barone V; Cacelli I; De Mitri N; Licari D; Monti S; Prampolini G
    Phys Chem Chem Phys; 2013 Mar; 15(11):3736-51. PubMed ID: 23389748
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Haptic quantum chemistry.
    Marti KH; Reiher M
    J Comput Chem; 2009 Oct; 30(13):2010-20. PubMed ID: 19130501
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A molecular mechanics force field for biologically important sterols.
    Cournia Z; Smith JC; Ullmann GM
    J Comput Chem; 2005 Oct; 26(13):1383-99. PubMed ID: 16028234
    [TBL] [Abstract][Full Text] [Related]  

  • 20. GolP: an atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water.
    Iori F; Di Felice R; Molinari E; Corni S
    J Comput Chem; 2009 Jul; 30(9):1465-76. PubMed ID: 19037859
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.