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Issue Date	Title	Author(s)
2017	Applications of statistical and docking approach for the prediction of lead molecule against Isocitrate lyase, an enzyme involved in the persistence of Mycobacterium tuberculosis	Sharma, Bharti; Khanduri, Astha; Rout, Chittaranjan [Guided by]
2021	Docking Analysis of Quercetin Gallic Acid and Hexanoic Acid with Seven Domains of Polyketide Synthase : a computational approach to contemplate quercetin gallic acid mediated aflatoxin biosynthesis inhibition in aspergillus flavu a potent carcinogenic fungus	Thakur, Chhavi; Malhotra, Amanjot Singh; Jata Shankar [Guided by]
2006	Docking Studies of TAU Protein for Alzheimer's Disease	Agarwal, Manas; Marla, Soma [Guided by]; Singh, Harkewal [Guided by]
2006	Inhibitor Design and Docking using Genetic Algorithm- LigBuilder and MOE	Singh, Vinay; Singh, Ashish kumar; Singh, Praveen kumar; Naik, P. K. [Guided by]
2007	Computational Screening of Podohyllotoxin using Combined Approaches of Docking-MM-GB,SA, QSAR and ADME	Dhingra, Abhay; Mittal, Ankit; Naik, Pradeep Kumar [Guided by]
2009	Applying Linear Interaction Energy Method for Binding Affinity Calculations of Podophyllotoxin Analogues with Tubulin Using Continuum Solvent Model and Prediction of Cytotoxic Activity	Alam, Md. Afroz; Naik, Pradeep Kumar
2009	Application of the Linear Interaction Energy Method for Rational Design of Artemisinin Analogues as Haeme Polymerisation Inhibitors	Srivastava, M.; Singh, H.; Naik, P.K.
2021	Virtual Screening and Protein Ligand Based Molecular Docking Studies for the Major Protein EGFR in Non Small Cell Lung Cancer (NSCLC)	Rahul; Singh, Tiratha Raj [Guided by]
2019	Docking analysis of hexanoic acid and quercetin with seven domains of polyketide synthase A provided insight into quercetin-mediated aflatoxin biosynthesis inhibition in Aspergillus flavus	Tiwari, Shraddha; Shishodia, Sonia K.; Shankar, Jata
2020	Multicopper oxidase (MCO) laccase from Stropharia sp. ITCC‑8422: an apparent authentication using integrated experimental and in silico analysis	Agrawal, Komal; Shankar, Jata; Verma, Pradeep