EDITORIAL
Published on 12 Nov 2021
Editorial: Advanced Sampling and Modeling in Molecular Simulations for Slow and Large-Scale Biomolecular Dynamics
doi 10.3389/fmolb.2021.795991
- 2,318 views
- 2 citations
- Frontiers in Molecular Biosciences
- Biological Modeling and Simulation
- Research Topics
- Advanced Sampling and Modeling in Molecular Simulations for Slow and Large-Scale Biomolecular Dynamics
Advanced Sampling and Modeling in Molecular Simulations for Slow and Large-Scale Biomolecular Dynamics
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Articles
ORIGINAL RESEARCH
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Fibril Surface-Dependent Amyloid Precursors Revealed by Coarse-Grained Molecular Dynamics Simulation
doi 10.3389/fmolb.2021.719320
- 3,940 views
- 8 citations
BRIEF RESEARCH REPORT
Published on 27 Apr 2021
Pathways and Mechanism of Caffeine Binding to Human Adenosine A2A Receptor
doi 10.3389/fmolb.2021.673170
- 13,533 views
- 15 citations
ORIGINAL RESEARCH
Published on 15 Apr 2021
Integrating an Enhanced Sampling Method and Small-Angle X-Ray Scattering to Study Intrinsically Disordered Proteins
doi 10.3389/fmolb.2021.621128
- 1,663 views
- 5 citations
ORIGINAL RESEARCH
Published on 12 Apr 2021
Interactions Between Nucleosomes: From Atomistic Simulation to Polymer Model
doi 10.3389/fmolb.2021.624679
- 2,854 views
- 8 citations
ORIGINAL RESEARCH
Published on 19 Mar 2021
Insight Into Seeded Tau Fibril Growth From Molecular Dynamics Simulation of the Alzheimer’s Disease Protofibril Core
doi 10.3389/fmolb.2021.624302
- 5,335 views
- 22 citations
ORIGINAL RESEARCH
Published on 04 Mar 2021
The Morphology of Hydroxyapatite Nanoparticles Regulates Cargo Recognition in Clathrin-Mediated Endocytosis
doi 10.3389/fmolb.2021.627015
- 3,600 views
- 17 citations
ORIGINAL RESEARCH
Published on 23 Feb 2021
Albumin Alters the Conformational Ensemble of Amyloid-β by Promiscuous Interactions: Implications for Amyloid Inhibition
doi 10.3389/fmolb.2020.629520
- 2,969 views
- 23 citations
ORIGINAL RESEARCH
Published on 22 Feb 2021
Optimizing Gō-MARTINI Coarse-Grained Model for F-BAR Protein on Lipid Membrane
doi 10.3389/fmolb.2021.619381
- 10,580 views
- 37 citations
ORIGINAL RESEARCH
Published on 27 Jan 2021
Residue-Level Contact Reveals Modular Domain Interactions of PICK1 Are Driven by Both Electrostatic and Hydrophobic Forces
doi 10.3389/fmolb.2020.616135
- 1,693 views
- 7 citations
METHODS
Published on 11 Jan 2021
StructureMan: A Structure Manipulation Tool to Study Large Scale Biomolecular Interactions
doi 10.3389/fmolb.2020.627087
- 1,915 views
- 18 citations
ORIGINAL RESEARCH
Published on 15 Dec 2020
Development and Testing of Force Field Parameters for Phenylalanine and Tyrosine Derivatives
doi 10.3389/fmolb.2020.608931
- 6,692 views
- 4 citations
