Original Research
Published on 13 Apr 2021
Salt-Dependent RNA Pseudoknot Stability: Effect of Spatial Confinement
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.666369
- 2,562 views
- 12 citations
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440 articles
Articles
Editorial
Published on 13 Apr 2021
Editorial: Molecular Dynamics and Machine Learning in Drug Discovery
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.673773
- 4,052 views
- 8 citations
Original Research
Published on 12 Apr 2021
Characterization of Weak Protein Domain Structure by Spin-Label Distance Distributions
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.636599
- 3,167 views
- 9 citations
Original Research
Published on 12 Apr 2021
Interactions Between Nucleosomes: From Atomistic Simulation to Polymer Model
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.624679
- 2,840 views
- 2 citations
Original Research
Published on 09 Apr 2021
Structure-Based Virtual Screening to Identify Novel Potential Compound as an Alternative to Remdesivir to Overcome the RdRp Protein Mutations in SARS-CoV-2
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.645216
- 4,448 views
- 17 citations
Opinion
Published on 05 Apr 2021
Molecular Dynamics to Predict Cryo-EM: Capturing Transitions and Short-Lived Conformational States of Biomolecules
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.641208
- 6,781 views
- 18 citations
Original Research
Published on 01 Apr 2021
Delayed Modeling Approach to Forecast the Periodic Behavior of SARS-2
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2020.585245
- 2,340 views
- 20 citations
Original Research
Published on 30 Mar 2021
Impact of Structural Observables From Simulations to Predict the Effect of Single-Point Mutations in MHC Class II Peptide Binders
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.636562
- 2,109 views
- 4 citations
Perspective
Published on 29 Mar 2021
Perspectives on High-Throughput Ligand/Protein Docking With Martini MD Simulations
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.657222
- 9,021 views
- 19 citations
Methods
Published on 25 Mar 2021
ThermoScan: Semi-automatic Identification of Protein Stability Data From PubMed
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.620475
- 2,598 views
- 6 citations
Brief Research Report
Published on 25 Mar 2021
Molecular Basis of Class B GPCR Selectivity for the Neuropeptides PACAP and VIP
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.644644
- 3,808 views
- 14 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
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.624302
- 5,339 views
- 16 citations
Original Research
Published on 19 Mar 2021
Multi-Scale Flexible Fitting of Proteins to Cryo-EM Density Maps at Medium Resolution
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.631854
- 5,323 views
- 13 citations
Original Research
Published on 18 Mar 2021
Low Diversity of Human Variation Despite Mostly Mild Functional Impact of De Novo Variants
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.635382
- 1,733 views
- 3 citations
Review
Published on 17 Mar 2021
Bottom-Up Coarse-Grained Modeling of DNA
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.645527
- 5,662 views
- 22 citations
Original Research
Published on 16 Mar 2021
Role of Electrostatic Hotspots in the Selectivity of Complement Control Proteins Toward Human and Bovine Complement Inhibition
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.618068
- 2,388 views
- 1 citation