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Structure-based virtual screening towards the discovery of novel thrombin inhibitors with Anti-HCC activities.
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- Frontiers in Chemistry, 2024, p. 1, doi. 10.3389/fchem.2024.1451574
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- Article
Editorial: Novel Therapeutic Interventions Against Infectious Diseases: COVID-19.
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- 2022
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- Publication type:
- Editorial
In vitro and in silico studies on cell adhesion protein peroxinectin from Fenneropenaeus indicus and screening of heme blockers against activity.
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- Journal of Molecular Recognition, 2016, v. 29, n. 5, p. 186, doi. 10.1002/jmr.2516
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- Article
Molecular insights on analogs of HIV PR inhibitors toward HTLV-1 PR through QM/MM interactions and molecular dynamics studies: comparative structure analysis of wild and mutant HTLV-1 PR.
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- Journal of Molecular Recognition, 2014, v. 27, n. 12, p. 696, doi. 10.1002/jmr.2395
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- Article
Ligand-based pharmacophore modelling and screening of DNA minor groove binders targeting Staphylococcus aureus.
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- Journal of Molecular Recognition, 2014, v. 27, n. 7, p. 429, doi. 10.1002/jmr.2363
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- Article
Interaction investigations of crustacean β-GBP recognition toward pathogenic microbial cell membrane and stimulate upon prophenoloxidase activation.
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- Journal of Molecular Recognition, 2014, v. 27, n. 4, p. 173, doi. 10.1002/jmr.2348
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- Article
In silico and in vitro studies of cinnamaldehyde and their derivatives against LuxS in Streptococcus pyogenes: effects on biofilm and virulence genes.
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- Journal of Molecular Recognition, 2014, v. 27, n. 2, p. 106, doi. 10.1002/jmr.2339
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- Publication type:
- Article
Exploration of fluoroquinolone resistance in Streptococcus pyogenes: comparative structure analysis of wild-type and mutant DNA gyrase.
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- Journal of Molecular Recognition, 2013, v. 26, n. 6, p. 276, doi. 10.1002/jmr.2270
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- Publication type:
- Article
Exploring the selectivity of a ligand complex with CDK2/CDK1: a molecular dynamics simulation approach.
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- Journal of Molecular Recognition, 2012, v. 25, n. 10, p. 504, doi. 10.1002/jmr.2216
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- Publication type:
- Article
Ethyl gallate concurrent administration protects against acetaminophen‐induced acute liver injury in mice: An in vivo and in silico approach.
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- Chemical Biology & Drug Design, 2024, v. 103, n. 1, p. 1, doi. 10.1111/cbdd.14369
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- Publication type:
- Article
Elucidation of Agonist and Antagonist Dynamic Binding Patterns in ER-α by Integration of Molecular Docking, Molecular Dynamics Simulations and Quantum Mechanical Calculations.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 17, p. 9371, doi. 10.3390/ijms22179371
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- Article
Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 13, p. 7071, doi. 10.3390/ijms22137071
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- Article
Assessing Leaching of Potentially Hazardous Elements from Cookware during Cooking: A Serious Public Health Concern.
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- Toxics, 2023, v. 11, n. 7, p. 640, doi. 10.3390/toxics11070640
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- Publication type:
- Article
Examine the characterization of biofilm formation and inhibition by targeting SrtA mechanism in Bacillus subtilis: a combined experimental and theoretical study.
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- Journal of Molecular Modeling, 2014, v. 20, n. 8, p. 1, doi. 10.1007/s00894-014-2364-8
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- Publication type:
- Article
A highly efficient sorbitol dehydrogenase from Gluconobacter oxydans G624 and improvement of its stability through immobilization.
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- Scientific Reports, 2016, p. 33438, doi. 10.1038/srep33438
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- Publication type:
- Article
In Silico and In Vitro Studies on the Protein-Protein Interactions between Brugia malayi Immunomodulatory Protein Calreticulin and Human C1q.
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- PLoS ONE, 2014, v. 9, n. 9, p. 1, doi. 10.1371/journal.pone.0106413
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- Article
Curcumin as a Supportive Therapy in Type 2 Diabetic Patients.
- Published in:
- Advances in Public Health, 2024, v. 2024, p. 1, doi. 10.1155/2024/8563066
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- Publication type:
- Article
Advancements in Heart Disease Diagnosis: Harnessing Predictive Modeling Techniques for Cardiovascular Health Management.
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- Advances in Public Health, 2024, v. 2024, p. 1, doi. 10.1155/2024/5300908
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- Publication type:
- Article
The oncogenic role of SAMMSON lncRNA in tumorigenesis: A comprehensive review with especial focus on melanoma.
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- Journal of Cellular & Molecular Medicine, 2023, v. 27, n. 24, p. 3966, doi. 10.1111/jcmm.17978
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- Article
Effect of Amino Acid Substitution in the Penaeus monodon LGBP and Specificity Through Mutational Analysis.
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- International Journal of Peptide Research & Therapeutics, 2020, v. 26, n. 4, p. 1789, doi. 10.1007/s10989-019-09960-x
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- Article
Consensus Modeling for Prediction of Estrogenic Activity of Ingredients Commonly Used in Sunscreen Products.
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- International Journal of Environmental Research & Public Health, 2016, v. 13, n. 10, p. 958, doi. 10.3390/ijerph13100958
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- Article
Modeling of macromolecular proteins in prophenoloxidase cascade through experimental and computational approaches.
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- Biotechnology & Applied Biochemistry, 2016, v. 63, n. 6, p. 779, doi. 10.1002/bab.1450
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- Publication type:
- Article
Molecular cloning, relative expression, and structural analysis of pattern recognition molecule β-glucan binding protein from mangrove crab Episesarma tetragonum.
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- Biotechnology & Applied Biochemistry, 2015, v. 62, n. 3, p. 416, doi. 10.1002/bab.1273
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- Publication type:
- Article
Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation of EGFR for the Clinical Treatment of Glioblastoma.
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- Applied Biochemistry & Biotechnology, 2023, v. 195, n. 8, p. 5094, doi. 10.1007/s12010-023-04430-z
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- Publication type:
- Article
Investigations on the Interactions of λPhage-Derived Peptides Against the SrtA Mechanism in Bacillus anthracis.
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- Applied Biochemistry & Biotechnology, 2014, v. 172, n. 4, p. 1790, doi. 10.1007/s12010-013-0641-0
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- Publication type:
- Article
Role and anti-inflammatory mechanisms of acupuncture and moxibustion therapy on pain relief through NOX-ROS-NLRP3 pathway in CCI rats models.
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- Molecular Biology Reports, 2023, v. 50, n. 11, p. 9367, doi. 10.1007/s11033-023-08858-8
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- Publication type:
- Article
Selectins—The Two Dr. Jekyll and Mr. Hyde Faces of Adhesion Molecules—A Review.
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- Molecules, 2020, v. 25, n. 12, p. 2835, doi. 10.3390/molecules25122835
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- Publication type:
- Article
Pan-selectin inhibitors as potential therapeutics for COVID-19 treatment: in silico screening study.
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- Glycobiology, 2021, v. 31, n. 8, p. 975, doi. 10.1093/glycob/cwab021
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- Article
Editorial: Molecular level atomistic and structural insights on biological macromolecules, inhibition, and dynamics studies.
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- Frontiers in Molecular Biosciences, 2024, p. 1, doi. 10.3389/fmolb.2024.1362215
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- Publication type:
- Article
Explication of Pharmacological Proficiency of Phytoconstituents from Adansonia digitata Bark: An In Vitro and In Silico Approaches.
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- Scientifica, 2024, v. 2024, p. 1, doi. 10.1155/2024/6645824
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- Publication type:
- Article
SARS-CoV-2 ORF8 dimerization and binding mode analysis with class I MHC: computational approaches to identify COVID-19 inhibitors.
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- Briefings in Functional Genomics, 2023, v. 22, n. 2, p. 227, doi. 10.1093/bfgp/elac046
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- Publication type:
- Article
Promoter–motif extraction from co-regulated genes and their relevance to co-expression using E. coli as a model.
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- Briefings in Functional Genomics, 2023, v. 22, n. 2, p. 204, doi. 10.1093/bfgp/elac043
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- Publication type:
- Article
Tool development for Prediction of pIC<sub>50</sub> values from the IC<sub>50</sub> values - A pIC<sub>50</sub> value calculator.
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- Current Trends in Biotechnology & Pharmacy, 2011, v. 5, n. 2, p. 1104
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- Article
Computational studies reveal piperine, the predominant oleoresin of black pepper (Piper nigrum) as a potential inhibitor of SARS-CoV-2 (COVID-19).
- Published in:
- Current Science (00113891), 2020, v. 119, n. 8, p. 1333, doi. 10.18520/cs/v119/i8/1333-1342
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- Article
Artificial intelligence and machine learning approaches for drug design: challenges and opportunities for the pharmaceutical industries.
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- Molecular Diversity, 2022, v. 26, n. 3, p. 1893, doi. 10.1007/s11030-021-10326-z
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- Publication type:
- Article