ORIGINAL RESEARCH
Published on 04 May 2021
DESP: Deep Enhanced Sampling of Proteins’ Conformation Spaces Using AI-Inspired Biasing Forces
doi 10.3389/fmolb.2021.587151
- 3,363 views
- 6 citations
- Frontiers in Molecular Biosciences
- Biological Modeling and Simulation
- Research Topics
- Understanding Protein Dynamics, Binding and Allostery for Drug Design
Understanding Protein Dynamics, Binding and Allostery for Drug Design
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Articles
EDITORIAL
Published on 21 Apr 2021
Editorial: Understanding Protein Dynamics, Binding and Allostery for Drug Design
doi 10.3389/fmolb.2021.681364
- 2,643 views
- 6 citations
ORIGINAL RESEARCH
Published on 03 Feb 2021
Computational Ways to Enhance Protein Inhibitor Design
doi 10.3389/fmolb.2020.607323
- 5,548 views
- 2 citations
REVIEW
Published on 18 Dec 2020
Surveying the Side-Chain Network Approach to Protein Structure and Dynamics: The SARS-CoV-2 Spike Protein as an Illustrative Case
doi 10.3389/fmolb.2020.596945
- 46,034 views
- 14 citations
REVIEW
Published on 27 Nov 2020
Wrangling Shape-Shifting Morpheeins to Tackle Disease and Approach Drug Discovery
doi 10.3389/fmolb.2020.582966
- 1,806 views
- 10 citations
BRIEF RESEARCH REPORT
Published on 19 Nov 2020
ANCA: A Web Server for Amino Acid Networks Construction and Analysis
doi 10.3389/fmolb.2020.582702
- 5,540 views
- 8 citations
ORIGINAL RESEARCH
Published on 05 Nov 2020
Is Crocin a Potential Anti-tumor Candidate Targeting Microtubules? Computational Insights From Molecular Docking and Dynamics Simulations
doi 10.3389/fmolb.2020.586970
- 1,767 views
- 5 citations
REVIEW
Published on 19 Oct 2020
Enzyme Kinetics by Isothermal Titration Calorimetry: Allostery, Inhibition, and Dynamics
doi 10.3389/fmolb.2020.583826
- 24,408 views
- 49 citations
ORIGINAL RESEARCH
Published on 25 Sep 2020
Exploring Allosteric Signaling in the Exit Tunnel of the Bacterial Ribosome by Molecular Dynamics Simulations and Residue Network Model
doi 10.3389/fmolb.2020.586075
- 3,043 views
- 14 citations
ORIGINAL RESEARCH
Published on 25 Sep 2020
Probing the Structural Dynamics of the Plasmodium falciparum Tunneling-Fold Enzyme 6-Pyruvoyl Tetrahydropterin Synthase to Reveal Allosteric Drug Targeting Sites
doi 10.3389/fmolb.2020.575196
- 2,470 views
- 3 citations
ORIGINAL RESEARCH
Published on 25 Sep 2020
Molecular Dynamics Investigations of Binding Mechanism for Triazoles Inhibitors to CYP51
doi 10.3389/fmolb.2020.586540
- 3,561 views
- 20 citations
ORIGINAL RESEARCH
Published on 15 Sep 2020
Investigating the Role of the N-Terminal Loop of PD-1 in Binding Process Between PD-1 and Nivolumab via Molecular Dynamics Simulation
doi 10.3389/fmolb.2020.574759
- 2,686 views
- 13 citations
