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4 articles related to "Molecular Dynamics Trajectories"

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Articles

Review

Published on 11 Apr 2024

From complex data to clear insights: visualizing molecular dynamics trajectories

in Data Visualization

Hayet Belghit
Mariano Spivak
Manuel Dauchez
Marc Baaden
Jessica Jonquet-Prevoteau

Frontiers in Bioinformatics

doi 10.3389/fbinf.2024.1356659

11,129 views
8 citations

Original Research

Published on 12 Jul 2019

Machine Learning From Molecular Dynamics Trajectories to Predict Caspase-8 Inhibitors Against Alzheimer’s Disease

in Translational Pharmacology

Salma Jamal
Abhinav Grover
Sonam Grover

Frontiers in Pharmacology

doi 10.3389/fphar.2019.00780

18,601 views
57 citations

Technology and Code

Published on 13 Aug 2021

3dRS, a Web-Based Tool to Share Interactive Representations of 3D Biomolecular Structures and Molecular Dynamics Trajectories

in Biological Modeling and Simulation

Genís Bayarri
Adam Hospital
Modesto Orozco

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2021.726232

6,490 views
10 citations

Original Research

Published on 19 Jun 2019

Using Dimensionality Reduction to Analyze Protein Trajectories

in Biological Modeling and Simulation

Gareth A. Tribello
Piero Gasparotto

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2019.00046

15,960 views
80 citations