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 *

263 related articles for article (PubMed ID: 36124940)

  • 21. Enhanced Conformational Sampling of N-Glycans in Solution with Replica State Exchange Metadynamics.
    Galvelis R; Re S; Sugita Y
    J Chem Theory Comput; 2017 May; 13(5):1934-1942. PubMed ID: 28399363
    [TBL] [Abstract][Full Text] [Related]  

  • 22. CHARMM-GUI Implicit Solvent Modeler for Various Generalized Born Models in Different Simulation Programs.
    Wang KW; Lee J; Zhang H; Suh D; Im W
    J Phys Chem B; 2022 Sep; 126(38):7354-7364. PubMed ID: 36117287
    [TBL] [Abstract][Full Text] [Related]  

  • 23. CHARMM-GUI
    Guterres H; Park SJ; Zhang H; Im W
    J Chem Inf Model; 2021 Aug; 61(8):3744-3751. PubMed ID: 34296608
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Enhanced sampling using replica exchange with nonequilibrium switches: A case study on simple models.
    Badani S; Krishnan M
    J Chem Phys; 2022 Nov; 157(18):184102. PubMed ID: 36379798
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Taming Rugged Free Energy Landscapes Using an Average Force.
    Fu H; Shao X; Cai W; Chipot C
    Acc Chem Res; 2019 Nov; 52(11):3254-3264. PubMed ID: 31680510
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Hamiltonian replica-exchange simulations with adaptive biasing of peptide backbone and side chain dihedral angles.
    Ostermeir K; Zacharias M
    J Comput Chem; 2014 Jan; 35(2):150-8. PubMed ID: 24318649
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Increasing the Sampling Efficiency of Protein Conformational Change by Combining a Modified Replica Exchange Molecular Dynamics and Normal Mode Analysis.
    Peng C; Wang J; Shi Y; Xu Z; Zhu W
    J Chem Theory Comput; 2021 Jan; 17(1):13-28. PubMed ID: 33351613
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Simple, yet powerful methodologies for conformational sampling of proteins.
    Harada R; Takano Y; Baba T; Shigeta Y
    Phys Chem Chem Phys; 2015 Mar; 17(9):6155-73. PubMed ID: 25659594
    [TBL] [Abstract][Full Text] [Related]  

  • 29. OneOPES, a Combined Enhanced Sampling Method to Rule Them All.
    Rizzi V; Aureli S; Ansari N; Gervasio FL
    J Chem Theory Comput; 2023 Sep; 19(17):5731-5742. PubMed ID: 37603295
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Thermodynamics of Protein Folding Studied by Umbrella Sampling along a Reaction Coordinate of Native Contacts.
    Meshkin H; Zhu F
    J Chem Theory Comput; 2017 May; 13(5):2086-2097. PubMed ID: 28355066
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Conformational analysis of replica exchange MD: Temperature-dependent Markov networks for FF amyloid peptides.
    Narayan B; Herbert C; Yuan Y; Rodriguez BJ; Brooks BR; Buchete NV
    J Chem Phys; 2018 Aug; 149(7):072323. PubMed ID: 30134732
    [TBL] [Abstract][Full Text] [Related]  

  • 32. CHARMM-GUI Free Energy Calculator for Practical Ligand Binding Free Energy Simulations with AMBER.
    Zhang H; Kim S; Giese TJ; Lee TS; Lee J; York DM; Im W
    J Chem Inf Model; 2021 Sep; 61(9):4145-4151. PubMed ID: 34521199
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Enhanced conformational sampling of nucleic acids by a new Hamiltonian replica exchange molecular dynamics approach.
    Curuksu J; Zacharias M
    J Chem Phys; 2009 Mar; 130(10):104110. PubMed ID: 19292526
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Optimizing String Method's Reproducibility Using Generalized Solute Tempering Replica Exchange.
    Shrivastav G; Abrams CF
    J Phys Chem B; 2021 Jun; 125(24):6609-6616. PubMed ID: 34110824
    [TBL] [Abstract][Full Text] [Related]  

  • 35. ST-analyzer: a web-based user interface for simulation trajectory analysis.
    Jeong JC; Jo S; Wu EL; Qi Y; Monje-Galvan V; Yeom MS; Gorenstein L; Chen F; Klauda JB; Im W
    J Comput Chem; 2014 May; 35(12):957-63. PubMed ID: 24638223
    [TBL] [Abstract][Full Text] [Related]  

  • 36. CHARMM-GUI Ligand Binder for absolute binding free energy calculations and its application.
    Jo S; Jiang W; Lee HS; Roux B; Im W
    J Chem Inf Model; 2013 Jan; 53(1):267-77. PubMed ID: 23205773
    [TBL] [Abstract][Full Text] [Related]  

  • 37. An interoperable implementation of collective-variable based enhanced sampling methods in extended phase space within the OpenMM package.
    Bajpai S; Petkov BK; Tong M; Abreu CRA; Nair NN; Tuckerman ME
    J Comput Chem; 2023 Oct; 44(28):2166-2183. PubMed ID: 37464902
    [TBL] [Abstract][Full Text] [Related]  

  • 38. TopoGromacs: Automated Topology Conversion from CHARMM to GROMACS within VMD.
    Vermaas JV; Hardy DJ; Stone JE; Tajkhorshid E; Kohlmeyer A
    J Chem Inf Model; 2016 Jun; 56(6):1112-6. PubMed ID: 27196035
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Hamiltonian replica exchange combined with elastic network analysis to enhance global domain motions in atomistic molecular dynamics simulations.
    Ostermeir K; Zacharias M
    Proteins; 2014 Dec; 82(12):3410-9. PubMed ID: 25243707
    [TBL] [Abstract][Full Text] [Related]  

  • 40. CORE-MD II: A fast, adaptive, and accurate enhanced sampling method.
    Peter EK; Manstein DJ; Shea JE; Schug A
    J Chem Phys; 2021 Sep; 155(10):104114. PubMed ID: 34525829
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 14.