Brief Research Report
Accepted on 28 Jul 2025
Modelling the melting of DNA oligomers with non-inert dangling ends
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2025.1646428
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483 articles
Original Research
Published on 11 Jul 2025
Integrating multi-dimensional data to reveal the mechanisms and molecular targets of baikening granules for treatment of pediatric influenza
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2025.1637980
- 1,046 views
Correction
Published on 19 May 2025
Corrigendum: Computational analysis of the structural-functional dynamics of a Co-receptor proteoglycan
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2025.1612818
- 707 views
Original Research
Published on 06 May 2025
Exploring focal adhesion data: dynamic parameter extraction from FRAP and FLAP experiments using chemical master equation
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2025.1587608
- 1,332 views
Original Research
Published on 23 Apr 2025
Successful prediction of LC8 binding to intrinsically disordered proteins sheds light on AlphaFold’s black box
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2025.1531793
- 2,403 views
Review
Published on 08 Apr 2025
Use of AI-methods over MD simulations in the sampling of conformational ensembles in IDPs
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2025.1542267
- 3,307 views
Original Research
Published on 25 Mar 2025
Computational analysis of the structural-functional dynamics of a Co-receptor proteoglycan
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2025.1549177
- 1,569 views
Original Research
Published on 19 Mar 2025
Computational molecular insights into ibrutinib as a potent inhibitor of HER2-L755S mutant in breast cancer: gene expression studies, virtual screening, docking, and molecular dynamics analysis
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2025.1510896
- 2,454 views
Review
Published on 17 Mar 2025
Exploring chemical space for “druglike” small molecules in the age of AI
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2025.1553667
- 2,214 views
Brief Research Report
Published on 27 Feb 2025
Uncovering a novel binding trench in ERRα: insights from molecular simulations
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2025.1523932
- 1,925 views
Editorial
Published on 25 Feb 2025
Editorial: Machine learning in computer-aided drug design
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2025.1568437
- 1,270 views
Original Research
Published on 14 Feb 2025
Metabolite profiling, antimalarial potentials of Schleichera oleosa using LC-MS and GC-MS: in vitro, molecular docking and molecular dynamics
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2025.1543939
- 3,241 views
- 3 citations
Original Research
Published on 11 Feb 2025
Simulations of pH and thermal effects on SARS-CoV-2 spike glycoprotein
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2025.1545041
- 1,350 views
- 1 citation
Original Research
Published on 29 Jan 2025
Individual-network based predictions of microbial interaction signatures for response to biological therapies in IBD patients
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1490533
- 3,059 views
- 1 citation
Original Research
Published on 23 Jan 2025
Linking machine learning and biophysical structural features in drug discovery
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1305272
- 2,034 views
Editorial
Published on 03 Jan 2025
Editorial: Revolutionizing life sciences: the nobel leap in artificial intelligence-driven biomodeling
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1540823
- 1,748 views