Original Research
Published on 01 Mar 2023
PROT-ON: A structure-based detection of designer PROTein interface MutatiONs
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2023.1063971
- 4,064 views
- 1 citation
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466 articles
Articles
Original Research
Published on 23 Feb 2023
Ligand-based pharmacophore modeling and QSAR approach to identify potential dengue protease inhibitors
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2023.1106128
- 3,377 views
- 6 citations
Brief Research Report
Published on 16 Feb 2023
Biasing AlphaFold2 to predict GPCRs and kinases with user-defined functional or structural properties
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2023.1121962
- 7,603 views
- 40 citations
Original Research
Published on 14 Feb 2023
Integration of immunoinformatics and cheminformatics to design and evaluate a multitope vaccine against Klebsiella pneumoniae and Pseudomonas aeruginosa coinfection
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2023.1123411
- 5,472 views
- 6 citations
Original Research
Published on 09 Feb 2023
Coupled binding and folding of disordered SPIN N-terminal region in myeloperoxidase inhibition
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2023.1130189
- 2,028 views
- 3 citations
Original Research
Published on 09 Feb 2023
In-silico drug design for the novel Karachi-NF001 strain of brain-eating amoeba: Naegleria fowleri
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2023.1098217
- 6,358 views
- 4 citations
Original Research
Published on 26 Jan 2023
Structure of co-expression networks of Bifidobacterium species in response to human milk oligosaccharides
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2023.1040721
- 3,801 views
- 2 citations
Editorial
Published on 24 Jan 2023
Editorial: Biomolecular function and activity modulated by membranes
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2023.1133034
- 1,735 views
Original Research
Published on 19 Jan 2023
A Boolean-based machine learning framework identifies predictive biomarkers of HSP90-targeted therapy response in prostate cancer
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2023.1094321
- 8,837 views
- 5 citations
Original Research
Published on 19 Jan 2023
Disruption of DYRK1A-induced hyperphosphorylation of amyloid-beta and tau protein in Alzheimer’s disease: An integrative molecular modeling approach
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.1078987
- 4,718 views
- 1 citation
Original Research
Published on 16 Jan 2023
Small GTPase Ran: Depicting the nucleotide-specific conformational landscape of the functionally important C-terminus
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2023.1111574
- 2,072 views
- 1 citation
Review
Published on 12 Jan 2023
Recent applications of computational methods to allosteric drug discovery
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.1070328
- 4,632 views
- 11 citations
Original Research
Published on 09 Jan 2023
Modeling nonsegmented negative-strand RNA virus (NNSV) transcription with ejective polymerase collisions and biased diffusion
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.1095193
- 1,697 views
- 2 citations
Original Research
Published on 09 Jan 2023
Computational protein design repurposed to explore enzyme vitality and help predict antibiotic resistance
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.905588
- 1,196 views
- 1 citation
Methods
Published on 23 Dec 2022
SMoRe ParS: A novel methodology for bridging modeling modalities and experimental data applied to 3D vascular tumor growth
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.1056461
- 1,832 views
- 7 citations
Original Research
Published on 19 Dec 2022
Mechanistic insights into the role of calcium in the allosteric regulation of the calmodulin-regulated death-associated protein kinase
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.1104942
- 1,520 views
- 2 citations