| Issue Date | Title | Author(s) |
| 2016 | Antioxidant, Anti-inflammatory, and Antidiabetic Activity of Hydroalcoholic Extract of Ocimum Sanctum: an in-vitro and in-silico Study | Mehta, Vineet; Sharma, Arun; Kailkhura, Pallavi; Malairaman, Udayabanu |
| 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. |
| 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] |
| 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 |
| 2010 | The binding modes and binding affinities of artemisinin derivatives with Plasmodium falciparum Ca2+-ATPase (PfATP6) | Naik, Pradeep Kumar; Srivastava, Mani; Bajaj, Prasad; Jain, Sankalp; Dubey, Abhishek; Ranjan, Piyush; Kumar, Rishay; Singh, Harvinder |
| 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] |
| 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 |
| 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 |
| 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] |
| 2022 | In Silico Identification of Novel Drug Targets for Campylobacter Jejuni and Potential Drug Molecules | Khullar, Ginni; Bansal, Saurabh [Guided by]; Kumar, Raj [Guided by] |
| 2016 | In Vitro and in Silico Evaluation of the Antidiabetic Effect of Hydroalcoholic Leaf Extract of Centella Asiatica | Mehta, Vineet; Sharma, Arun; Tanwar, Shruchi; Malairaman, Udayabanu |
| 2006 | Inhibitor Design and Docking using Genetic Algorithm- LigBuilder and MOE | Singh, Vinay; Singh, Ashish kumar; Singh, Praveen kumar; Naik, P. K. [Guided by] |
| 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 |
| 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 |
| 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 |
| 2013 | Novel Structural Insights of Glutamate Racemase from Mycobacterium tuberculosis through Modeling and Docking Studies | Ramana, Jayashree |
| 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] |
