Literature DB >> 23365411

MSMExplorer: visualizing Markov state models for biomolecule folding simulations.

Bryce Cronkite-Ratcliff1, Vijay Pande.   

Abstract

SUMMARY: Markov state models (MSMs) for the study of biomolecule folding simulations have emerged as a powerful tool for computational study of folding dynamics. MSMExplorer is a visualization application purpose-built to visualize these MSMs with an aim to increase the efficacy and reach of MSM science. AVAILABILITY: MSMExplorer is available for download from https://simtk.org/home/msmexplorer. The source code is made available under the GNU Lesser General Public License at https://github.com/SimTk/msmexplorer.

Mesh:

Year:  2013        PMID: 23365411     DOI: 10.1093/bioinformatics/btt051

Source DB:  PubMed          Journal:  Bioinformatics        ISSN: 1367-4803            Impact factor:   6.937


  9 in total

1.  Accelerating molecular simulations of proteins using Bayesian inference on weak information.

Authors:  Alberto Perez; Justin L MacCallum; Ken A Dill
Journal:  Proc Natl Acad Sci U S A       Date:  2015-09-08       Impact factor: 11.205

Review 2.  Markov state models of biomolecular conformational dynamics.

Authors:  John D Chodera; Frank Noé
Journal:  Curr Opin Struct Biol       Date:  2014-05-16       Impact factor: 6.809

3.  Effects of Zn2+ binding on the structural and dynamic properties of amyloid β peptide associated with Alzheimer's disease: Asp1 or Glu11?

Authors:  Liang Xu; Xiaojuan Wang; Xicheng Wang
Journal:  ACS Chem Neurosci       Date:  2013-09-13       Impact factor: 4.418

Review 4.  Integrated Computational Approaches and Tools forAllosteric Drug Discovery.

Authors:  Olivier Sheik Amamuddy; Wayde Veldman; Colleen Manyumwa; Afrah Khairallah; Steve Agajanian; Odeyemi Oluyemi; Gennady Verkhivker; Ozlem Tastan Bishop
Journal:  Int J Mol Sci       Date:  2020-01-28       Impact factor: 5.923

Review 5.  Emerging Computational Methods for the Rational Discovery of Allosteric Drugs.

Authors:  Jeffrey R Wagner; Christopher T Lee; Jacob D Durrant; Robert D Malmstrom; Victoria A Feher; Rommie E Amaro
Journal:  Chem Rev       Date:  2016-04-13       Impact factor: 60.622

6.  Enhanced unbiased sampling of protein dynamics using evolutionary coupling information.

Authors:  Zahra Shamsi; Alexander S Moffett; Diwakar Shukla
Journal:  Sci Rep       Date:  2017-10-05       Impact factor: 4.379

7.  Simple Model of Protein Energetics To Identify Ab Initio Folding Transitions from All-Atom MD Simulations of Proteins.

Authors:  Massimiliano Meli; Giulia Morra; Giorgio Colombo
Journal:  J Chem Theory Comput       Date:  2020-08-03       Impact factor: 6.006

8.  Dimeric allostery mechanism of the plant circadian clock photoreceptor ZEITLUPE.

Authors:  Francesco Trozzi; Feng Wang; Gennady Verkhivker; Brian D Zoltowski; Peng Tao
Journal:  PLoS Comput Biol       Date:  2021-07-26       Impact factor: 4.475

Review 9.  Allosteric Regulation at the Crossroads of New Technologies: Multiscale Modeling, Networks, and Machine Learning.

Authors:  Gennady M Verkhivker; Steve Agajanian; Guang Hu; Peng Tao
Journal:  Front Mol Biosci       Date:  2020-07-09
  9 in total

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