• 01Vertika Gautam, Anand Gaurav , Vaishali Patil, Vannajan Sanghiran Lee. Artificial Intelligence and Machine Learning Approaches in Structure and Ligand Based Discovery of Drugs Affecting Central Nervous System. Molecular Diversity, 2022. (Accepted) [IF: 2.943, JCR Q2 ]
• 02Gautam V, Nimmanpipug P, Zain S M, Rahman N A, & Lee V S. (2021). Molecular Dynamics Simulations in Designing DARPins as Phosphorylation-Specific Protein Binders of ERK2. Molecules, 26(15): 4540. (IF: 4.411)
• 03Huynh K, Gautam V, Cho B, Jang Y, Lee V S, Tran-Van H. Molecular Dynamics Simulations Reveal Novel 12- Mer Peptide Derived From CPE30 of Clostridium Perfringens Targeting M Cell. Int j pharm res alliedsci 2020;9(4):1-10.
• 04Gautam, Vertika and Chong, Wei Lim and Chin, Sek Peng and Zain, Sharifuddin Md and Abd Rahman, Noorsaadah and Vao-soongnern, Visit and Lee, Vannajan Sanghiran (2019) Loop dynamics behind the affinity of DARPins towards ERK2: Molecular dynamics simulations (MDs) and elastic network model (ENM). Journal of Molecular Liquids, 274. pp. 612-620. ISSN 0167-7322 (IF: 6.165)
• 05Gaurav, A., & Gautam, V. (2017). Pharmacophore Based Virtual Screening Approach to Identify Selective PDE4B Inhibitors. Iranian journal of pharmaceutical research : IJPR, 16(3), 910–923. (IF: 1.250 )
• 06Gautam V, Gaurav A. NOS Inhibitors: Structure, Biological Activity and Mechanism of Action. Current Enzyme Inhibition. 2016; 12(1): 2064. (IF: 0.658)
• 07N Kala, A Gaurav, V Gautam, Syntheses, characterization, and evaluation of novel non-carboxylic analogues of Gemfibrozil: a bioisosteric approach. Journal of chinese pharmaceutical sciences. 26 (2), 95- 105 (IF: 0.32)
• 08M Xing, GA Akowuah, V Gautam, A Gaurav. Structure-based design of selective phosphodiesterase 4B inhibitors based on ginger phenolic compounds. Journal of Biomolecular Structure and Dynamics. 2016; 1-15. (IF: 3.549)
• 09Gaurav A, Gautam V. Structure-based three-dimensional pharmacophores as an alternative to traditional methodologies. Journal of Receptor, Ligand and Channel Research. 2014; 7: 27–38
• 10Gaurav A, Gautam V. Identifying the structural features of pyrazolo[4,3-c]quinoline-3-ones as inhibitors of phosphodiesterase 4: An exploratory CoMFA and CoMSIA study. Current Enzyme Inhibition. 2013;9(2):106-16. . (IF: 0.658)
• 11Gaurav A, Gautam V, Singh R. Quantitative structure-activity relationship and design of polysubstituted quinoline derivatives as inhibitors of phosphodiesterase 4. Medicinal Chemistry Research. 2012;21(10):3087-103. (IF: 1.965)
• 12Gaurav A, Yadav MR, Giridhar R, Gautam V, Singh R. 3D-QSAR studies of 4-quinolone derivatives as high- affinity ligands at the benzodiazepine site of brain GABAA receptors. Medicinal Chemistry Research. 2011;20(2):192-9. (IF: 1.965)
• 13Gaurav A, Gautam V, Singh R. Exploring the structure activity relationships of imidazole containing tetrahydrobenzodiazepines as farnesyltransferase inhibitors: A QSAR study. Letters in Drug Design and Discovery. 2011;8(6):506-15. (IF: 1.15)
• 14Gaurav A, Gautam V, Singh R. An overview on synthetic methodologies and biological activities of pyrazoloquinolines. Mini-Reviews in Medicinal Chemistry. 2010;10(2):1194-210. (IF : 2.733)
• 15Gautam V, Chawla V, Sonar PK, Saraf SK. Syntheses, characterization and antimicrobial evaluation of some 1, 3, 5-trisubustituted pyrazole derivatives. E-Journal of Chemistry. 2010;7(4):1190-5. (IF : 2.506 )
• 16A.K. Mishra, V.Gautam, A.Gupta. Synthesis and antimicrobial activity of some newer benzimidazole derivatives-An Overview. Journal of Pharmacy Research. 2010;3(2): 371-378.
• 17Mukesh Maithani, Richa Raturi, Dharmendra Kumar, Vertika Gautam, Anand Gaurav and Ranjit Singh, Simultaneous Estimation of Ambroxol hydrochloride and Cetirizine hydrochloride in Tablet Dosage Form by RP-HPLC Method, International Journal of Comprehensive Pharmacy. 2010;5(05).
• 18Gaurav A, Yadav MR, Giridhar R, Gautam V, Singh R. QSAR studies on 4-quinolone derivatives as high- affinity ligands at the benzodiazepine site of brain GABAA receptors. Medicinal chemistry. 2009;5(4):353- 8. (IF : 2.745)

Book Chapter Published

• 01Satya P. Gupta and Vertika Gautam Cancer Causing Viruses: An Introduction in Cancer-Causing Viruses and Their Inhibitors, 1-20, ISBN: 978-1-4665-8977-3, doi 10.1201/b16780-2, CRC Press 2014.

• 02Wei Lim Chong, Vertika Gautam, Sharifuddin M. Zain, Noorsaadah Abd. Rahman, Vannajan Sanghiran Lee. GPU accelerated molecular dynamics simulations in predicting the protein-protein binding affinity from residues interactions within the binding surface, Software and Techniques for Bio-Molecular Modeling, 90- 106, ISBN: 978-0-9971499-4-4, Austin Group Open Access eBooks 2016.

M. Pharm Projects Co-supervised

• 01Phytochemical investigation characterization and pharmacological screening of Symplocos racemose.
• 02Pharmacological and Phytochemical investigation of Curcuma aromatica growing in western Himalayan region.
• 03HPTLC Analysis of Vitex nigondu.
• 04Syntheses, characterization, and evaluation of novel non- carboxylic analogues of Gemfibrozil: a bioisosteric approach
• 05Quality assessment of Withania somnifera Dunal.from different  geographivcal locations.
• 06Comparative study of Boerhauvia diffusa  Linn. from different geographical locations.