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Journal of Biomolecular Structure & Dynamics|February 20, 2018
Molecular dynamics of interaction of Sesamin and related compounds with the cancer marker β-catenin: an in silico studyBindu Madhuri Cavuturu, Vishwambar Vishnu Bhandare, Amutha Ramaswamy, et al.Journal of Chemical Theory and Computation|July 26, 2017
Molecular Dynamics of Double Stranded Xylo-Nucleic AcidAmutha Ramaswamy, Daryna Smyrnova, Mathy Froeyen, et al.Bioorganic Chemistry|October 5, 2024
Virtual screening, molecular dynamics simulations, and in vitro validation of EGFR inhibitors as breast cancer therapeuticsSwathi R Shetty, Sudhan Debnath, Khokan Majumdar, et al.In Silico Pharmacology|November 11, 2024
Development of a Multiple-Epitope-Based Vaccine for Hepatitis C Virus Genotypes 1a and 1b: an in-silico reverse vaccinology approachEnakshi Das, Mahesh Samantaray, Kajal Abrol, et al.Journal of Biomolecular Structure & Dynamics|November 13, 2016
The conformational feasibility for the formation of reaching dimer in ASV and HIV integrase: a molecular dynamics studySangeetha Balasubramanian, Muthukumaran Rajagopalan, Ravi Shankar Bojja, et al.Bioinformatics and Biology Insights|April 13, 2026
Combating Drug Resistance in <i>Mycobacterium Tuberculosis</i>: A Combinatorial in Silico and Experimental Modeling Approach Toward Novel ATP Synthase Inhibitor DiscoveryHaidy H El-Zoheiry, Ratul Bhowmik, Ajay Manaithiya, et al.Molecular Diversity|February 8, 2025
Designing a multi-epitope vaccine candidate against pandemic influenza a virus: an immunoinformatics and structural vaccinology approachMahesh Samantaray, Shilpa Sri Pushan, Muthukumaran Rajagopalan, et al.Journal of Biomolecular Structure & Dynamics|August 30, 2023
Structure-based virtual screening of natural compounds against wild and mutant (R1155K, A1156T and D1168A) NS3-4A protease of Hepatitis C virusMahesh Samantaray, Ramya Pattabiraman, T P Krishna Murthy, et al.Frontiers in Molecular Biosciences|March 13, 2023
Ligand-based pharmacophore modeling and QSAR approach to identify potential dengue protease inhibitorsAnushka A Poola, Prithvi S Prabhu, T P Krishna Murthy, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|December 20, 2011
Solution structure and conformational dynamics of deoxyxylonucleic acids (dXNA): an orthogonal nucleic acid candidateMohitosh Maiti, Vanessa Siegmund, Mikhail Abramov, et al.Pageof 4