Brief Research Report
Accepted on 13 Jan 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
Type at least 3 characters
471 articles
Articles
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
- 571 views
Original Research
Accepted on 31 Dec 2024
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
- 155 views
Original Research
Accepted on 27 Dec 2024
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
- 159 views
Original Research
Published on 02 Dec 2024
Exploring TAS2R46 biomechanics through molecular dynamics and network analysis
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1473675
- 648 views
Original Research
Published on 14 Nov 2024
Protein-free domains in native and ferroptosis-driven oxidized cell membranes: a molecular dynamics study of biophysical properties and doxorubicin uptake
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1494257
- 676 views
Original Research
Published on 09 Oct 2024
Exploration of phytoconstituents of Medhya Rasayana herbs to identify potential inhibitors for cerebroside sulfotransferase through high-throughput screening
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1476482
- 1,160 views
- 1 citation
Correction
Published on 04 Oct 2024
Corrigendum: Deepening insights into cholinergic agents for intraocular pressure reduction: systems genetics, molecular modeling, and in vivo perspectives
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1490100
- 410 views
Original Research
Published on 10 Sep 2024
From in vitro to in silico: a pipeline for generating virtual tissue simulations from real image data
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1467366
- 1,032 views
Original Research
Published on 06 Sep 2024
A potential allosteric inhibitor of SARS-CoV-2 main protease (Mpro) identified through metastable state analysis
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1451280
- 1,115 views
- 1 citation
Original Research
Published on 05 Sep 2024
LncSTPred: a predictive model of lncRNA subcellular localization and decipherment of the biological determinants influencing localization
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1452142
- 571 views
Original Research
Published on 13 Aug 2024
Computational insights into the mechanisms underlying structural destabilization and recovery in trafficking-deficient hERG mutants
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1341727
- 1,127 views
Original Research
Published on 09 Aug 2024
Structural modifications and kinetic effects of KRAS interactions with HRAS and NRAS: an in silico comparative analysis of KRAS mutants
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1436976
- 1,589 views
Original Research
Published on 07 Aug 2024
Discovery of an 8-oxoguanine regulator PCBP1 inhibitor by virtual screening and its synergistic effects with ROS-modulating agents in pancreatic cancer
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1441550
- 1,405 views
Original Research
Published on 05 Aug 2024
Molecular dynamic simulation reveals the inhibiting impact of Rhein on wild-type and P29S-mutated Rac1
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1414197
- 1,104 views
Methods
Published on 01 Aug 2024
Innovative tree-based method for sampling molecular conformations: exploring the ATP-binding cassette subfamily D member 1 (ABCD1) transporter as a case study
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2024.1440529
- 1,360 views