Original Research
Published on 27 Jan 2022
Online Machine Learning for Accelerating Molecular Dynamics Modeling of Cells
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.812248
- 4,489 views
- 5 citations
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466 articles
Articles
Original Research
Published on 27 Jan 2022
Molecular Docking and Dynamics Studies to Explore Effective Inhibitory Peptides Against the Spike Receptor Binding Domain of SARS-CoV-2
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.791642
- 6,823 views
- 30 citations
Original Research
Published on 27 Jan 2022
Modeling the MreB-CbtA Interaction to Facilitate the Prediction and Design of Candidate Antibacterial Peptides
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.814935
- 2,428 views
- 1 citation
Original Research
Published on 26 Jan 2022
Comparing Antibody Interfaces to Inform Rational Design of New Antibody Formats
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.812750
- 4,640 views
- 7 citations
Original Research
Published on 24 Jan 2022
A Computer-Aided Approach for the Discovery of D-Peptides as Inhibitors of SARS-CoV-2 Main Protease
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.816166
- 3,728 views
- 8 citations
Original Research
Published on 24 Jan 2022
Towards Elucidating Structure–Spectra Relationships in Rhamnogalacturonan II: Computational Protocols for Accurate 13C and 1H Shifts for Apiose and Its Borate Esters
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.756219
- 1,856 views
Editorial
Published on 24 Jan 2022
Editorial: Coarse-Grained Models of Nucleic Acids and Their Applications
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.842049
- 1,325 views
Original Research
Published on 21 Jan 2022
Prediction of Residue-specific Contributions to Binding and Thermal Stability Using Yeast Surface Display
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.800819
- 5,148 views
- 24 citations
Review
Published on 14 Jan 2022
From Acid Activation Mechanisms of Proton Conduction to Design of Inhibitors of the M2 Proton Channel of Influenza A Virus
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.796229
- 3,881 views
- 8 citations
Methods
Published on 05 Jan 2022
QSalignWeb: A Server to Predict and Analyze Protein Quaternary Structure
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.787510
- 3,669 views
- 5 citations
Original Research
Published on 03 Jan 2022
2-Sulfonylpyrimidines as Privileged Warheads for the Development of S. aureus Sortase A Inhibitors
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.804970
- 3,492 views
- 8 citations
Original Research
Published on 23 Dec 2021
Energy Bilocalization Effect and the Emergence of Molecular Functions in Proteins
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.736376
- 1,859 views
- 6 citations
Review
Published on 22 Dec 2021
Membrane-Mediated Interactions Between Protein Inclusions
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.811711
- 4,415 views
- 9 citations
Original Research
Published on 20 Dec 2021
A Novel Hybrid Logic-ODE Modeling Approach to Overcome Knowledge Gaps
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.760077
- 2,557 views
- 3 citations
Original Research
Published on 20 Dec 2021
Exploring Kv1.2 Channel Inactivation Through MD Simulations and Network Analysis
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.784276
- 2,699 views
- 5 citations
Technology and Code
Published on 17 Dec 2021
Understanding Metabolic Flux Behaviour in Whole-Cell Model Output
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2021.732079
- 2,940 views
- 7 citations