Mechanistic influence of discreet conformation of human telomerase linker region by Talati, Varun P, Karn, Vamika, Gadewal, Nikhil, Bastikar, Virupaksha A

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Structural depiction and analysis of RasGap protein using molecular dynamics simulations by Virupaksha A., Bastikar, Pramodkumar P., Gupta, Piyush, Kumar, Alpana, Bastikar, Santosh S., Chhajed

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Molecular modeling and structure-based drug discovery approach reveals protein kinases as off-targets for novel anticancer drug RH1 by Gupta, Pramodkumar P., Bastikar, Virupaksha A., Kuciauskas, Dalius, Kothari, Shanker Lal, Cicenas, Jonas, Valius, Mindaugas

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Synthesis and molecular modeling studies of 3-chloro-4-substituted-1-(8-hydroxy-quinolin-5-yl)-azetidin-2-ones as novel anti-filarial agents by Chhajed, Santosh S., Manisha, Puranik, Bastikar, Virupaksha A., Animeshchandra, Haldar, Ingle, V.N., Upasani, Chandrashekhar D., Wazalwar, Sachin S.

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Molecular Mechanics Demonstrate S-COMT as promising therapeutic receptor when analyzed with secondary plant metabolites by Garg, Deepanshu, Vashishth, Aarya, Jayawant, Maharsh Jayadeep, Bastikar, Virupaksha A.

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In silico screening of phytochemicals against chromatin modifier, SETD7 for remodeling of the immunosuppressive tumor microenvironment in renal cancer by Gadewal, Nikhil, Patidar, Diya, Natu, Abhiram, Gupta, Sanjay, Bastikar, Virupaksha

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Potential inhibitory activity of phytoconstituents against black fungus: In silico ADMET, molecular docking and MD simulation studies by Hamaamin Hussen, Narmin, Hameed Hasan, Aso, Jamalis, Joazaizulfazli, Shakya, Sonam, Chander, Subhash, Kharkwal, Harsha, Murugesan, Sankaranaryanan, Ajit Bastikar, Virupaksha, Pyarelal Gupta, Pramodkumar

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Integrative epigenome-transcriptome analysis unravels cancer-specific over-expressed genes potentially regulating immune microenvironment in clear cell renal cell carcinoma by Gadewal, Nikhil, Natu, Abhiram, Sen, Siddhartha, Rauniyar, Sukanya, Bastikar, Virupaksha, Gupta, Sanjay

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In silico analysis of the pyretic effect of drugs on antimalarial receptors by Sakpal, Shrutika, Bastikar, Alpana, Kothari, Shanker Lal, Bastikar, Virupaksha

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CoMFA QSAR models of camptothecin analogues based on the distinctive SAR features of combined ABC, CD and E ring substitutions by Virupaksha, Bastikar, Alpana, Gupte

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Analysis of naphthoquinone derivatives as topoisomerase I inhibitors using fragment based QSAR by Virupaksha, Bastikar, Alpana, Gupte, Prashant, Khadke, Uday, Deshpande, Alessandro, Desideri

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