- Navigating the unstructured by evaluating alphafold’s efficacy in predicting missing residues and structural disorder in proteins
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Research Article | published 25 Mar 2025 PLOS ONE
https://doi.org/10.1371/journal.pone.0313812
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- The binding modes of brazilin and hematein from Caesalpinia sappan L. to Cutibacterium acnes lipase: Simulation studies
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Research Article | published 04 Mar 2025 PLOS ONE
https://doi.org/10.1371/journal.pone.0318706
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- Drug target affinity prediction based on multi-scale gated power graph and multi-head linear attention mechanism
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Research Article | published 21 Feb 2025 PLOS ONE
https://doi.org/10.1371/journal.pone.0315718
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- Investigation of biometabolites and novel antimicrobial peptides derived from promising source Cordyceps militaris and effect of non-small cell lung cancer genes computationally
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Research Article | published 23 Jan 2025 PLOS ONE
https://doi.org/10.1371/journal.pone.0310103
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- Ongoing measles outbreak in Romania: Clinical investigation and molecular epidemiology performed on whole genome sequences
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Research Article | published 15 Jan 2025 PLOS ONE
https://doi.org/10.1371/journal.pone.0317045
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- Fracture-healing effects of Rhizoma Musae ethanolic extract: An integrated study using UHPLC-Q-Exactive-MS/MS, network pharmacology, and molecular docking
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Research Article | published 14 Jan 2025 PLOS ONE
https://doi.org/10.1371/journal.pone.0313743
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- Biophysical and biochemical evidence for the role of acetate kinases (AckAs) in an acetogenic pathway in pathogenic spirochetes
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Research Article | published 09 Jan 2025 PLOS ONE
https://doi.org/10.1371/journal.pone.0312642
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- Integration of pharmacophore-based virtual screening, molecular docking, ADMET analysis, and MD simulation for targeting EGFR: A comprehensive drug discovery study using commercial databases
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Research Article | published 09 Dec 2024 PLOS ONE
https://doi.org/10.1371/journal.pone.0311527
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- Computational investigation of naturally occurring anticancer agents in regulating Hedgehog pathway proteins
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Research Article | published 03 Dec 2024 PLOS ONE
https://doi.org/10.1371/journal.pone.0311307
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- Systematic analysis of the relationship between fold-dependent flexibility and artificial intelligence protein structure prediction
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Research Article | published 26 Nov 2024 PLOS ONE
https://doi.org/10.1371/journal.pone.0313308
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- Ononin delays the development of osteoarthritis by down-regulating MAPK and NF-κB pathways in rat models
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Research Article | published 31 Oct 2024 PLOS ONE
https://doi.org/10.1371/journal.pone.0310293
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- Assessing anti oxidant, antidiabetic potential and GCMS profiling of ethanolic root bark extract of Zanthoxylum rhetsa (Roxb.) DC: Supported by in vitro, in vivo and in silico molecular modeling
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Research Article | published 19 Aug 2024 PLOS ONE
https://doi.org/10.1371/journal.pone.0304521
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- An in silico investigation on the binding site preference of PD-1 and PD-L1 for designing antibodies for targeted cancer therapy
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Research Article | published 25 Jul 2024 PLOS ONE
https://doi.org/10.1371/journal.pone.0304270
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- Bioinformatics for Dentistry: A secondary database for the genetics of tooth development
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Research Article | published 06 Jun 2024 PLOS ONE
https://doi.org/10.1371/journal.pone.0303628
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- Atomistic description of the OCTN1 recognition mechanism via in silico methods
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Research Article | published 03 Jun 2024 PLOS ONE
https://doi.org/10.1371/journal.pone.0304512
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