Editorial
Published on 21 Oct 2022
Editorial: Systems modeling: Approaches and applications–Volume II
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.1048727
- 1,415 views
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466 articles
Articles
Correction
Published on 19 Oct 2022
Corrigendum: Decreased interfacial dynamics caused by the N501Y mutation in the SARS-CoV-2 S1 spike:ACE2 complex
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.1018464
- 1,186 views
Methods
Published on 18 Oct 2022
PINet 1.0: A pathway network-based evaluation of drug combinations for the management of specific diseases
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.971768
- 2,304 views
Correction
Published on 13 Oct 2022
Corrigendum: Deciphering the mechanism of inhibition of SERCA1a by sarcolipin using molecular simulations
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.1035445
- 659 views
Original Research
Published on 10 Oct 2022
Refinement of SARS-CoV-2 envelope protein structure in a native-like environment by molecular dynamics simulations
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.1027223
- 3,855 views
- 4 citations
Original Research
Published on 10 Oct 2022
Structural and electronic properties of the active site of [ZnFe] SulE
in Biological Modeling and Simulation
![Structural and electronic properties of the active site of [ZnFe] SulE](https://www.frontiersin.org/files/myhome article library/945415/945415_Thumb_400.jpg)
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.945415
- 1,528 views
Original Research
Published on 06 Oct 2022
A dynamical view of protein-protein complexes: Studies by molecular dynamics simulations
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.970109
- 6,453 views
- 14 citations
Editorial
Published on 06 Oct 2022
Editorial: Combined artificial intelligence and molecular dynamics (AI-MD) methods
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.1012785
- 3,041 views
- 3 citations
Original Research
Published on 06 Oct 2022
pyDockDNA: A new web server for energy-based protein-DNA docking and scoring
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.988996
- 9,239 views
- 12 citations
Brief Research Report
Published on 05 Oct 2022
Identifying well-folded de novo proteins in the new era of accurate structure prediction
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.991380
- 4,105 views
- 4 citations
Original Research
Published on 04 Oct 2022
Molecular dynamics study of tropical calcific pancreatitis (TCP) associated calcium-sensing receptor single nucleotide variation
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.982831
- 5,262 views
- 8 citations
Original Research
Published on 03 Oct 2022
Insights into the binding mode of AS1411 aptamer to nucleolin
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.1025313
- 8,559 views
- 25 citations
Original Research
Published on 29 Sep 2022
Role of TM3 in claudin-15 strand flexibility: A molecular dynamics study
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.964877
- 2,356 views
- 7 citations
Original Research
Published on 27 Sep 2022
Modeling of the thermal properties of SARS-CoV-2 S-protein
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.953064
- 1,864 views
- 5 citations
Technology and Code
Published on 23 Sep 2022
Stmol: A component for building interactive molecular visualizations within streamlit web-applications
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.990846
- 7,867 views
- 11 citations
Original Research
Published on 19 Sep 2022
Structural insights into the binding of zoledronic acid with RANKL via computational simulations
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.992473
- 2,667 views
- 3 citations