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Showing results 1 to 16 of 16
Issue DateTitleAuthor(s)
2018Binding affinity of pyrano[3, 2-f]quinoline and DNA: spectroscopic and docking approachRoy, Swarup
2018Computational discovery of potent drugs to improve the treatment of pyrazinamide resistant Mycobacterium tuberculosis mutantsSonavane, Avinash
2019Design and Construction of Aroyl-Hydrazone Derivatives: Synthesis, Crystal Structure, Molecular Docking and Their Biological ActivitiesAnsari, Shagufi Naz; Mobin, Shaikh M.
2020Discovery of New Hydroxyethylamine Analogs against 3CLproProtein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation, and Structure-Activity Relationship StudiesShankar, Uma; Kumar, Amit
2017Ecofriendly gold nanoparticles – Lysozyme interaction: Thermodynamical perspectivesRoy, Swarup; Sagdeo, Pankaj R.; Kumar, Rajesh
2021Elucidating specificity of an allosteric inhibitor WNK476 among With-No-Lysine kinase isoforms using molecular dynamic simulationsAmarnath Jonniya, Nisha; Sk, Md Fulbabu; Kar, Parimal
2016Evidences for Piperine inhibiting cancer by targeting human G-quadruplex DNA sequencesKumar, Amit
2020Exploring Computational and Biophysical Tools to Study the Presence of G-Quadruplex Structures: A Promising Therapeutic Solution for Drug-Resistant Vibrio choleraeShankar, Uma; Jain, Neha; Majee, Prativa; Kodgire, Prashant; Kumar, Amit
2016Insights into the thermodynamics of polymer nanodot-human serum albumin association: A spectroscopic and calorimetric approachMukherjee, Tushar Kanti
2017Interaction of Different Divalent Metal Ions with Lipid Bilayer: Impact on the Encapsulation of Doxorubicin by Lipid Bilayer and Lipoplex Mediated DeintercalationDas, Anupam; Chakraborty, Anjan
2021A Novel Therapeutic Peptide Blocks SARS-CoV-2 Spike Protein Binding with Host Cell ACE2 ReceptorRajpoot, Sajjan; Baig, Mirza Saqib
2018Polypharmacology or promiscuity? Structural interactions of resveratrol with its bandwagon of targetsSaqib, Uzma; Baig, Mirza Saqib
2020Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidaseAgrawal, Richa; Kumar, Amit
2021Structure-Based Design of Novel Peptidomimetics Targeting the SARS-CoV-2 Spike ProteinAlagumuthu, Manikandan; Rajpoot, Sajjan; Baig, Mirza Saqib
2017Tuning of resonance energy transfer from 4′,6-diamidino-2-phenylindole to an ultrasmall silver nanocluster across the lipid bilayerVaishnav, Jamuna K.; Mukherjee, Tushar Kanti
2019Tyrosine-based asymmetric urea ligand for prostate carcinoma: Tuning biological efficacy through in silico studiesSengupta, Sagnik; Krishnan, Mena Asha; Pandit, Amit; Dudhe, Premansh; Chelvam, Venkatesh