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 *

178 related articles for article (PubMed ID: 17100428)

  • 1. Efficiency analysis of reaction rate calculation methods using analytical models I: The two-dimensional sharp barrier.
    van Erp TS
    J Chem Phys; 2006 Nov; 125(17):174106. PubMed ID: 17100428
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Transmission coefficient calculation for proton transfer in triosephosphate isomerase based on the reaction path potential method.
    Wang M; Lu Z; Yang W
    J Chem Phys; 2004 Jul; 121(1):101-7. PubMed ID: 15260526
    [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. Rare events via multiple reaction channels sampled by path replica exchange.
    Bolhuis PG
    J Chem Phys; 2008 Sep; 129(11):114108. PubMed ID: 19044951
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes.
    Wang Q; Hammes-Schiffer S
    J Chem Phys; 2006 Nov; 125(18):184102. PubMed ID: 17115733
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Direct evaluation of the temperature dependence of the rate constant based on the quantum instanton approximation.
    Buchowiecki M; Vanícek J
    J Chem Phys; 2010 May; 132(19):194106. PubMed ID: 20499950
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Two-dimensional free-energy surface on the exchange reaction of alkyl chloride/chloride using the QM/MM-MC method.
    Ohisa M; Yamataka H; Dupuis M; Aida M
    Phys Chem Chem Phys; 2008 Feb; 10(6):844-9. PubMed ID: 18231687
    [TBL] [Abstract][Full Text] [Related]  

  • 8. The energy gap as a universal reaction coordinate for the simulation of chemical reactions.
    Mones L; Kulhánek P; Simon I; Laio A; Fuxreiter M
    J Phys Chem B; 2009 Jun; 113(22):7867-73. PubMed ID: 19432459
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Coordinate and time-dependent diffusion dynamics in protein folding.
    Oliveira RJ; Whitford PC; Chahine J; Leite VB; Wang J
    Methods; 2010 Sep; 52(1):91-8. PubMed ID: 20438841
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Calculation of absolute protein-ligand binding free energy using distributed replica sampling.
    Rodinger T; Howell PL; Pomès R
    J Chem Phys; 2008 Oct; 129(15):155102. PubMed ID: 19045232
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Overcoming barriers in trajectory space: mechanism and kinetics of rare events via Wang-Landau enhanced transition path sampling.
    Borrero EE; Dellago C
    J Chem Phys; 2010 Oct; 133(13):134112. PubMed ID: 20942528
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Improved transition path sampling methods for simulation of rare events.
    Chopra M; Malshe R; Reddy AS; de Pablo JJ
    J Chem Phys; 2008 Apr; 128(14):144104. PubMed ID: 18412420
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Transition state barriers in multidimensional Marcus theory.
    Zwickl J; Shenvi N; Schmidt JR; Tully JC
    J Phys Chem A; 2008 Oct; 112(42):10570-9. PubMed ID: 18826200
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Simulated scaling method for localized enhanced sampling and simultaneous "alchemical" free energy simulations: a general method for molecular mechanical, quantum mechanical, and quantum mechanical/molecular mechanical simulations.
    Li H; Fajer M; Yang W
    J Chem Phys; 2007 Jan; 126(2):024106. PubMed ID: 17228942
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Exploring reaction pathways with transition path and umbrella sampling: application to methyl maltoside.
    Dimelow RJ; Bryce RA; Masters AJ; Hillier IH; Burton NA
    J Chem Phys; 2006 Mar; 124(11):114113. PubMed ID: 16555880
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes.
    Gao J; Major DT; Fan Y; Lin YL; Ma S; Wong KY
    Methods Mol Biol; 2008; 443():37-62. PubMed ID: 18446281
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.