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 *

180 related articles for article (PubMed ID: 26574441)

  • 21. Calculation of Free Energy Landscape in Multi-Dimensions with Hamiltonian-Exchange Umbrella Sampling on Petascale Supercomputer.
    Jiang W; Luo Y; Maragliano L; Roux B
    J Chem Theory Comput; 2012 Nov; 8(11):4672-80. PubMed ID: 26605623
    [TBL] [Abstract][Full Text] [Related]  

  • 22. 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]  

  • 23. BAR-based optimum adaptive steered MD for configurational sampling.
    Wang X; Tu X; Deng B; Zhang JZH; Sun Z
    J Comput Chem; 2019 May; 40(12):1270-1289. PubMed ID: 30762879
    [TBL] [Abstract][Full Text] [Related]  

  • 24. A differential fluctuation theorem.
    Maragakis P; Spichty M; Karplus M
    J Phys Chem B; 2008 May; 112(19):6168-74. PubMed ID: 18331019
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Adaptive Finite Temperature String Method in Collective Variables.
    Zinovjev K; Tuñón I
    J Phys Chem A; 2017 Dec; 121(51):9764-9772. PubMed ID: 29190105
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Understanding free-energy perturbation calculations through a model of harmonic oscillators: theory and implications to improve the sampling efficiency by molecular simulation.
    Wu D
    J Chem Phys; 2010 Dec; 133(24):244116. PubMed ID: 21197985
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Heating and flooding: a unified approach for rapid generation of free energy surfaces.
    Chen M; Cuendet MA; Tuckerman ME
    J Chem Phys; 2012 Jul; 137(2):024102. PubMed ID: 22803523
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Adaptive biasing force method for scalar and vector free energy calculations.
    Darve E; Rodríguez-Gómez D; Pohorille A
    J Chem Phys; 2008 Apr; 128(14):144120. PubMed ID: 18412436
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Automated Search of Minimum Free-Energy Path by Umbrella Integration.
    Mitsuta Y; Yamanaka S; Kawakami T; Okumura M
    J Comput Chem; 2018 Sep; 39(23):1913-1921. PubMed ID: 30247767
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Conformational Free Energy Changes via an Alchemical Path without Reaction Coordinates.
    He P; Zhang BW; Arasteh S; Wang L; Abel R; Levy RM
    J Phys Chem Lett; 2018 Aug; 9(15):4428-4435. PubMed ID: 30024165
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Collective Reaction Coordinate for Hybrid Quantum and Molecular Mechanics Simulations: A Case Study of the Hydride Transfer in Dihydrofolate Reductase.
    Doron D; Kohen A; Major DT
    J Chem Theory Comput; 2012 Jul; 8(7):2484-96. PubMed ID: 26588977
    [TBL] [Abstract][Full Text] [Related]  

  • 32. An algorithm to find minimum free-energy paths using umbrella integration.
    Bohner MU; Kästner J
    J Chem Phys; 2012 Jul; 137(3):034105. PubMed ID: 22830681
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Separating forward and backward pathways in nonequilibrium umbrella sampling.
    Dickson A; Warmflash A; Dinner AR
    J Chem Phys; 2009 Oct; 131(15):154104. PubMed ID: 20568844
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Molecular enhanced sampling with autoencoders: On-the-fly collective variable discovery and accelerated free energy landscape exploration.
    Chen W; Ferguson AL
    J Comput Chem; 2018 Sep; 39(25):2079-2102. PubMed ID: 30368832
    [TBL] [Abstract][Full Text] [Related]  

  • 35. A minimum free energy reaction path for the E2 reaction between fluoro ethane and a fluoride ion.
    Ensing B; Laio A; Gervasio FL; Parrinello M; Klein ML
    J Am Chem Soc; 2004 Aug; 126(31):9492-3. PubMed ID: 15291524
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Minimum free energy pathways and free energy profiles for conformational transitions based on atomistic molecular dynamics simulations.
    van der Vaart A; Karplus M
    J Chem Phys; 2007 Apr; 126(16):164106. PubMed ID: 17477588
    [TBL] [Abstract][Full Text] [Related]  

  • 37. A Local Order Parameter-Based Method for Simulation of Free Energy Barriers in Crystal Nucleation.
    Eslami H; Khanjari N; Müller-Plathe F
    J Chem Theory Comput; 2017 Mar; 13(3):1307-1316. PubMed ID: 28195473
    [TBL] [Abstract][Full Text] [Related]  

  • 38. A reversible minimum-to-minimum mapping method for the calculation of free-energy differences.
    Theodorou DN
    J Chem Phys; 2006 Jan; 124(3):034109. PubMed ID: 16438569
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Metadynamics as a tool for mapping the conformational and free-energy space of peptides--the alanine dipeptide case study.
    Vymetal J; Vondrásek J
    J Phys Chem B; 2010 Apr; 114(16):5632-42. PubMed ID: 20361773
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Free Energy Reconstruction from Logarithmic Mean-Force Dynamics Using Multiple Nonequilibrium Trajectories.
    Morishita T; Yonezawa Y; Ito AM
    J Chem Theory Comput; 2017 Jul; 13(7):3106-3119. PubMed ID: 28602083
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 9.