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R. Balasaheb Aher and Sarkar, D., “Pharmacophore modeling of pretomanid (PA-824) derivatives for antitubercular potency against replicating and non-replicating Mycobacterium tuberculosis”, Journal of Biomolecular Structure & Dynamics, vol. 39, no. 3, pp. 889-900, 2021.
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N. K. Gaur, Goyal, V. Durani, Kulkarni, K., and Makde, R. D., “Machine learning classifiers aid virtual screening for efficient design of mini-protein therapeutics”, Bioorganic & Medicinal Chemistry Letters, vol. 38, p. 127852, 2021.
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D. Karade, Vijayasarathi, D., Kadoo, N., Vyas, R., Ingle, P. K., and Karthikeyan, M., “Design of novel drug-like molecules using informatics rich secondary metabolites analysis of Indian medicinal and aromatic plants”, Combinatorial Chemistry & High Throughput Screening, vol. 23, no. 10, pp. 1113-1131, 2020.
M. Karthikeyan and Vyas, R., “Role of open source tools and resources in virtual screening for drug discovery”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 528-543, 2015.
M. Karthikeyan, Pandit, D., and Vyas, R., “ChemScreener: a distributed computing tool for scaffold based virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 544-561, 2015.
M. Karthikeyan, Rajamohanan, P. Ramanpilla, and Vyas, R., “Prediction of bioactive compounds using computed NMR chemical shifts”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 562-576, 2015.
M. Karthikeyan, Pandit, D., and Vyas, R., “Protein ligand complex guided approach for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 577-590, 2015.
M. Karthikeyan, Pandit, Y., Pandit, D., and Vyas, R., “MegaMiner: a tool for lead identification through text mining using chemoinformatics tools and cloud computing environment”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 591-603, 2015.
M. Karthikeyan, Pandit, D., Bhavasar, A., and Vyas, R., “Design and development of cheminfocloud: an integrated cloud enabled platform for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 604-619, 2015.
M. Karthikeyan, Vyas, R., Tambe, S. S., Radhamohan, D., and Kulkarni, B. D., “Role of chemical reactivity and transition state modeling for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 638-657, 2015.
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P. Prakash, Vijayasarathi, D., Selvam, K., Karthi, S., and Manivasagaperumal, R., “Pharmacore maping based on docking, ADME/toxicity, virtual screening on 3,5-dimethyl-1,3,4-hexanetriol and dodecanoic acid derivates for anticancer inhibitors”, Journal of Biomolecular Structure & Dynamics, vol. 39, no. 12, pp. 4490-4500, 2021.
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I. G. Shibi, Aswathy, L., Jisha, R. S., Masand, V. H., and Gajbhiye, J. M., “Virtual screening techniques to probe the antimalarial activity of some traditionally used phytochemicals”, Combinatorial Chemistry & High Throughput Screening, vol. 19, no. 7, pp. 572-591, 2016.