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 *

134 related articles for article (PubMed ID: 19831431)

  • 1. Decomposition of energy and free energy changes by following the flow of work along reaction path.
    Haas K; Chu JW
    J Chem Phys; 2009 Oct; 131(14):144105. PubMed ID: 19831431
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Direct determination of reaction paths and stationary points on potential of mean force surfaces.
    Li G; Cui Q
    J Mol Graph Model; 2005 Oct; 24(2):82-93. PubMed ID: 16005650
    [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. Upflow anaerobic sludge blanket reactor--a review.
    Bal AS; Dhagat NN
    Indian J Environ Health; 2001 Apr; 43(2):1-82. PubMed ID: 12397675
    [TBL] [Abstract][Full Text] [Related]  

  • 5. String method in collective variables: minimum free energy paths and isocommittor surfaces.
    Maragliano L; Fischer A; Vanden-Eijnden E; Ciccotti G
    J Chem Phys; 2006 Jul; 125(2):24106. PubMed ID: 16848576
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Revisiting the finite temperature string method for the calculation of reaction tubes and free energies.
    Vanden-Eijnden E; Venturoli M
    J Chem Phys; 2009 May; 130(19):194103. PubMed ID: 19466817
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Tracing the minimum-energy path on the free-energy surface.
    Fleurat-Lessard P; Ziegler T
    J Chem Phys; 2005 Aug; 123(8):084101. PubMed ID: 16164276
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Free energy determinants of secondary structure formation: I. alpha-Helices.
    Yang AS; Honig B
    J Mol Biol; 1995 Sep; 252(3):351-65. PubMed ID: 7563056
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Free energy profile along a discretized reaction path via the hyperplane constraint force and torque.
    Kudin KN; Car R
    J Chem Phys; 2005 Mar; 122(11):114108. PubMed ID: 15836202
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Amino acid conformational preferences and solvation of polar backbone atoms in peptides and proteins.
    Avbelj F
    J Mol Biol; 2000 Jul; 300(5):1335-59. PubMed ID: 10903873
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Role of Asp102 in the catalytic relay system of serine proteases: a theoretical study.
    Ishida T; Kato S
    J Am Chem Soc; 2004 Jun; 126(22):7111-8. PubMed ID: 15174882
    [TBL] [Abstract][Full Text] [Related]  

  • 13. New insight into the gas-phase bimolecular self-reaction of the HOO radical.
    Anglada JM; Olivella S; Solé A
    J Phys Chem A; 2007 Mar; 111(9):1695-704. PubMed ID: 17290977
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Parallel iterative reaction path optimization in ab initio quantum mechanical/molecular mechanical modeling of enzyme reactions.
    Liu H; Lu Z; Cisneros GA; Yang W
    J Chem Phys; 2004 Jul; 121(2):697-706. PubMed ID: 15260596
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Free energy simulations: the meaning of the individual contributions from a component analysis.
    Boresch S; Archontis G; Karplus M
    Proteins; 1994 Sep; 20(1):25-33. PubMed ID: 7824520
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Harmonic Fourier beads method for studying rare events on rugged energy surfaces.
    Khavrutskii IV; Arora K; Brooks CL
    J Chem Phys; 2006 Nov; 125(17):174108. PubMed ID: 17100430
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A theoretical analysis of the free-energy profile of the different pathways in the alkaline hydrolysis of methyl formate in aqueous solution.
    Pliego JR; Riveros JM
    Chemistry; 2002 Apr; 8(8):1945-53. PubMed ID: 12007105
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Mechanistic aspects of propene epoxidation by hydrogen peroxide. Catalytic role of water molecules, external electric field, and zeolite framework of TS-1.
    Stare J; Henson NJ; Eckert J
    J Chem Inf Model; 2009 Apr; 49(4):833-46. PubMed ID: 19267473
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
    Nguyen MT; Matus MH; Jackson VE; Vu TN; Rustad JR; Dixon DA
    J Phys Chem A; 2008 Oct; 112(41):10386-98. PubMed ID: 18816037
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Reaction Path Optimization with Holonomic Constraints and Kinetic Energy Potentials.
    Brokaw JB; Haas KR; Chu JW
    J Chem Theory Comput; 2009 Aug; 5(8):2050-61. PubMed ID: 26613147
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.