Taxifolin acts as type I inhibitor for VEGFR-2 kinase: Stability evaluation by molecular dynamic simulation
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Molecular construction of NADH-cytochrome b5 reductase inhibition by flavonoids and chemical basis of difference in inhibition potential: Molecular dynamics simulation study
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Potential activity of some natural products compounds as Neuraminidase inhibitors based on molecular docking simulation and in vitro test
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In silico analysis of indole-3-carbinol and its metabolite DIM as EGFR tyrosine kinase inhibitors in platinum resistant ovarian cancer vis a vis ADME/T property analysis
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Docking and ADME/T analysis of silibinin as a potential inhibitor of EGFR kinase for ovarian cancer therapy
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QSAR, Molecular Docking and Dynamics Studies of Quinazoline Derivatives as Inhibitor of Phosphatidylinositol 3-Kinase
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DOI: 10.7324/JAPS.2018.8501Pages: 001-009
Molecular modeling of 4-fluoropyrrolidine-2-carbonitrile and octahydrocyclopenta[b]pyrrole-2-carbonitrile as a dipeptidyl peptidase IV (DPP4) inhibitor
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Computational approach toward targeting the interaction of porphyrin derivatives with Bcl-2
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A simplified system for simulation of Streptococcus mutans biofilm on healthy extracted human tooth as dental plaque model
Nadia Halib, Nor Zaihana Abdul Rahman, Rohazila Mohamad Hanafiah, Nabihah Roslan, Nurhani Jauhar
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Molecular docking of various bioactive compounds from essential oil of Trachyaspermum ammi against the fungal enzyme Candidapepsin-1
Abhishek Biswal R., Venkataraghavan R., Vivek Pazhamalai, Ivo Romauld S.
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Identification of polyketide synthase 13 inhibitor: Pharmacophore-based virtual screening and molecular dynamics simulation
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DOI: 10.7324/JAPS.2019.90702Pages: 012-017
Computational study of the potential molecular target for antibreast cancer activity of limonoid derivatives from chisocheton sp
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Structural depiction and analysis of RasGap protein using molecular dynamics simulations
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Pharmacometrics: The science applied from bench to bedside
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In silico prediction of interactions and molecular dynamics simulation analysis of Mpro of Severe Acute Respiratory Syndrome caused by novel coronavirus 2 with the FDA-approved nonprotein antiviral drugs
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Designing of next-generation dihydropyridine-based calcium channel blockers: An in silico study
Sujoy Karmakar, Hriday Kumar Basak, Uttam Paswan, Arun Kumar Pramanik, Abhik Chatterjee
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Identification of potential bioactive compounds from Azadirachta indica (Neem) as inhibitors of SARS-CoV-2 main protease: Molecular docking and molecular dynamics simulation studies
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Computational study of binding of oseltamivir to neuraminidase mutants of influenza A virus
Muhammad Arba, Sri Wahyuli, Setyanto Tri Wahyudi, Amir Karton, Chun Wu
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Evaluation of pharmacist’s practices regarding pediatric diarrhea management therapy: A simulated patient study
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In silico screening and identification of lead molecules from Garcinia gummi-gutta with multitarget activity against SARS-CoV-2
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