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Archives of Pharmacal Research|July 26, 2015
Role of computer-aided drug design in modern drug discoveryStephani Joy Y Macalino, Vijayakumar Gosu, Sunhye Hong, et al.
Biomolecules|August 27, 2021
Computational Insights into the Structural Dynamics of MDA5 Variants Associated with Aicardi-Goutières Syndrome and Singleton-Merten SyndromeVijayakumar Gosu, Santanu Sasidharan, Prakash Saudagar, et al.
Journal of Biomolecular Structure & Dynamics|September 23, 2020
Molecular modeling and dynamic simulation of chicken Mx protein with the S631N polymorphismVijayakumar Gosu, Donghyun Shin, Ki-Duk Song, et al.
Molecular Diversity|February 12, 2021
Therapeutic p28 peptide targets essential H1N1 influenza virus proteins: insights from docking and molecular dynamics simulationsSantanu Sasidharan, Vijayakumar Gosu, Donghyun Shin, et al.
Computers in Biology and Medicine|May 12, 2023
Deciphering the intrinsic dynamics of unphosphorylated IRAK4 kinase bound to type I and type II inhibitorsVijayakumar Gosu, Santanu Sasidharan, Prakash Saudagar, et al.
Molecules (Basel, Switzerland)|August 20, 2015
A Combined Molecular Docking/Dynamics Approach to Probe the Binding Mode of Cancer Drugs with Cytochrome P450 3A4Suresh Panneerselvam, Dhanusha Yesudhas, Prasannavenkatesh Durai, et al.
ACS Omega|February 16, 2026
Investigating Marine Natural Products as Potential Antivirals of Mpox Virus Replication by Targeting Thymidylate KinaseManikandan Jayaraman, Vijayakumar Gosu, Maharaja Muthuvairam Subbulakshmi, et al.
Molecular Therapy. Nucleic Acids|November 24, 2020
Empirical Comparison and Analysis of Web-Based DNA N 4-Methylcytosine Site Prediction ToolsBalachandran Manavalan, Md Mehedi Hasan, Shaherin Basith, et al.
Plos One|March 28, 2025
Exploring Marine natural products as potential Quorum sensing inhibitors by targeting the PqsR in Pseudomonas aeruginosa: Virtual screening assisted structural dynamics studyManikandan Jayaraman, Vijayakumar Gosu, Rajalakshmi Kumar, et al.
Plos One|April 6, 2023
Molecular dynamics of the ERRγ ligand-binding domain bound with agonist and inverse agonistSantanu Sasidharan, Kamalakannan Radhakrishnan, Jun-Yeong Lee, et al.
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