Research Group Publications
 
  • Muthukumarasamy Karthikeyan And Deepak Pandit and Renu Vyas, ChemScreener: A Distributed Computing Tool for Scaffold based Virtual Screening, J.Combi.Chem.Highthrouput.Screening., 18 (6), 544 - 561 (2015), DOI:10.2174/1386207318666150703112242.
  • M. Mujahid, a P. Yogeeswari, b D. Sriram, b U. M. V. Basavanag, c Erik Díaz-Cervantes, c Luis Córdoba-Bahena, c Juvencio Robles, c R. G. Gonnade, a M. Karthikeyan And Renu Vyas and M. Muthukrishnan , Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies, RSC Adv., 5, 106448 - 106460 (2015), DOI:10.1039/C5RA21737G.
  • Muthukumarasamy Karthikeyan, Deepika Nimje, Rakhi Pahujani, Kushal Tyagi, Sanket Bapat And Renu Vyas and Krishna Pillai Padmakumar., Chemoinformatics Approach for Building Molecular Networks from Marine Organisms, J. Comb Chem High Throughput Screen., 18(7), 673 - 684 (2015), DOI:10.2174/1386207318666150703112950.
  • Renu Vyas, Sanket Bapat, Esha Jain, Sanjeev S. Tambe And Muthukumarasamy Karthikeyan and Bhaskar D Kulkarni. , A Study of Applications of Machine Learning Based Classification Methods for Virtual Screening of Lead Molecules, J. Comb Chem High Throughput Screen., 18(7), 658 - 672 (2015), DOI:10.2174/1386207318666150703112447.
  • Muthukumarasamy Karthikeyan, Renu Vyas, Sanjeev S. Tambe And Deepthi Radhamohan and Bhaskar D Kulkarni., Role of Chemical Reactivity and Transition State Modeling for Virtual Screening, J. Comb Chem High Throughput Screen., 18(7), 638 - 657 (2015), DOI:10.2174/1386207318666150703113135.
  • Renu Vyas, Muthukumarasamy Karthikeyan And Ganesh Nainaru and Murugan Muthukrishnan., Pharmacophore and Docking Based Virtual Screening of Validated Mycobacterium tuberculosis Targets, J. Comb Chem High Throughput Screen., 18(7), 624 - 637 (2015), DOI:10.2174/1386207318666150703112759.
  • Muthukumarasamy Karthikeyan and Renu Vyas, Thematic Issue: Role of Data and Methods in Chemoinformatics for Virtual Screening, J. Comb Chem High Throughput Screen., 18(7), 622 - 623 (2015), DOI:10.2174/138620731807150903101821.
  • Muthukumarasamy Karthikeyan, Deepak Pandit And Arvind Bhavasar and Renu Vyas., Design and Development of ChemInfoCloud: An Integrated Cloud Enabled Platform for Virtual Screening, J. Comb Chem High Throughput Screen., 18 (6), 604 - 619 (2015), DOI:10.2174/1386207318666150703113656.
  • Muthukumarasamy Karthikeyan, Yogesh Pandit And Deepak Pandit and Renu Vyas., MegaMiner: A Tool for Lead Identification Through Text Mining Using Chemoinformatics Tools and Cloud Computing Environment, J. Comb Chem High Throughput Screen., 18 (6), 591 - 603 (2015), DOI:10.2174/1386207318666150703113525.
  • Muthukumarasamy Karthikeyan And Pattuparambil Ramanpillai Rajamohanan and Renu Vyas, Prediction of Bioactive Compounds Using Computed NMR Chemical Shifts, J.Combi.Chem.Highthrouput.Screening., 18 (6), 562 - 576 (2015).
  • Muthukumarasamy Karthikeyan, Role of Open Source Tools and Resources in Virtual Screening for Drug Discovery, J.Combi.Chem.Highthrouput.Screening., 18 (6), 528 - 543 (2015), DOI:10.2174/1386207318666150703111911.
  • Muthukumarasamy Karthikeyan And Deepak Pandit and Renu Vyas. , Protein Ligand Complex Guided Approach for Virtual Screening, J.Combi.Chem.Highthrouput.Screening., 18 (6), 577 - 590 (2015).
  • M Karthikeyan And Renu Vyas, Docking and pharmacophore modeling for virtual screening, Practical Chemoinformatics., , 195 - 269 (2014), DOI:10.1007/978-81-322-1780-0_4.
  • Machine Learning Methods in Chemoinformatics for Drug Discovery, Practical Chemoinformatics., , 133 - 194 (2014), DOI:10.1007/978-81-322-1780-0_3.
  • M Karthikeyan And Renu Vyas, Chemoinformatics Approach for the Design and Screening of focused virtual libraries, Practical Chemoinformatics., 1, 93 - 131 (2014), DOI:10.1007/978-81-322-1780-0_2.
  • M Karthikeyan And Renu Vyas, Open-Source Tools, Techniques, and Data in Chemoinformatics, Practical Chemoinformatics., , 1 - 92 (2014), DOI:10.1007/978-81-322-1780-0_1.
  • Karthikeyan And R Vyas, Methods Mol Biol, 929, 167 - 92 (2012).
  • M Karthikeyan, ChemRobot, Indian Patent., , (2011).
  • M Karthikeyan, Distributed Chemical Computing Using ChemStar: Open Source Java RMI Architecture applied to Large Scale Molecular Data from PubChem, J. Chem. Inf. Model., 48 (4), 691 - 703 (2008).
  • M Karthikeyan, Harvesting Chemical Information from the Internet Using a Distributed Approach: ChemXtreme, J. Chem. Inf. Model., 46 (2), 452 - 46 1 (2006).
  • M Karthikeyan, Encoding and Decoding Graphical Chemical Structures as Two-Dimensional (PDF417) Barcodes M, J. Chem. Inf. Model., 45(3), 572 - 580 (2005).