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C. Inchara Moodbagil, Riaz Mahmood, H.M. Kumaraswamy, Vivek Chandramohan, Manjunath Dammalli, R. Sharath, P. Meghana, R. Sandeep Kumar Jain, N. Prashanth & J.R. Samartha. (2023) Identification of potential inhibitors of ATM kinase: pharmacoinformatics and molecular dynamics simulation approach. Molecular Simulation 49:5, pages 472-480.
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Saikiran Reddy Peddi, Sree Kanth Sivan & Vijjulatha Manga. (2018) Molecular dynamics and MM/GBSA-integrated protocol probing the correlation between biological activities and binding free energies of HIV-1 TAR RNA inhibitors. Journal of Biomolecular Structure and Dynamics 36:2, pages 486-503.
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Qingxiu He, Chu Han, Guangping Li, Haiqiong Guo, Yuxuan Wang, Yong Hu, Zhihua Lin & Yuanqiang Wang. (2020) In silico design novel (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine derivatives as inhibitors for glycogen synthase kinase 3 based on 3D-QSAR, molecular docking and molecular dynamics simulation. Computational Biology and Chemistry 88, pages 107328.
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Radhika Vangala, Sree Kanth Sivan, Saikiran Reddy Peddi & Vijjulatha Manga. (2019) Computational design, synthesis and evaluation of new sulphonamide derivatives targeting HIV-1 gp120. Journal of Computer-Aided Molecular Design 34:1, pages 39-54.
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Haiqiong Guo, Yuxuan Wang, Qingxiu He, Yuping Zhang, Yong Hu, Yuanqiang Wang & Zhihua Lin. (2019) In silico rational design and virtual screening of antixoidant tripeptides based on 3D-QSAR modeling. Journal of Molecular Structure 1193, pages 223-230.
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RamaKrishna Munnaluri, Saikiran Reddy Peddi, Sree Kanth Sivan & Vijjulatha Manga. (2019) Computational studies on N-phenyl pyrrole derivatives as MmpL3 inhibitors in Mycobacterium tuberculosis. Computational Biology and Chemistry 78, pages 81-94.
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Saikiran Reddy Peddi, Nihaya Abdulsattear Mohammed, Ammar Adil Hussein, Sree Kanth Sivan & Vijjulatha Manga. (2018) Multiple-receptor conformation docking, dock pose clustering, and 3D QSAR-driven approaches exploring new HIV-1 RT inhibitors. Structural Chemistry 29:4, pages 999-1012.
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Nivya James, V. Shanthi & K. Ramanathan. (2017) Drug Design for ALK-Positive NSCLC: an Integrated Pharmacophore-Based 3D QSAR and Virtual Screening Strategy. Applied Biochemistry and Biotechnology 185:1, pages 289-315.
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Muhammad Latif, Zaman Ashraf, Sulman Basit, Abdul Ghaffar, Muhammad Sohail Zafar, Aamer Saeed & Sultan Ayoub Meo. (2018) Latest perspectives of orally bioavailable 2,4-diarylaminopyrimidine analogues (DAAPalogues) as anaplastic lymphoma kinase inhibitors: discovery and clinical developments. RSC Advances 8:30, pages 16470-16493.
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