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R. S. K. Vijayan

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2020 – today

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2022
[j6]
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  - journals/jcamd/SunBVCFOCKSDL22
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Qinfang Sun, Avik Biswas, R. S. K. Vijayan, Pierrick Craveur, Stefano Forli, Arthur J. Olson, Andres Emanuelli Castaner, Karen Kirby, Stefan G. Sarafianos, Nan-Jie Deng, Ronald M. Levy:
Structure-based virtual screening workflow to identify antivirals targeting HIV-1 capsid. J. Comput. Aided Mol. Des. 36(3): 193-203 (2022)

2010 – 2019

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2016
[j5]
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Nan-Jie Deng, William F. Flynn, Junchao Xia, R. S. K. Vijayan, Baofeng Zhang, Peng He, Ahmet Mentes, Emilio Gallicchio, Ronald M. Levy:
Large scale free energy calculations for blind predictions of protein-ligand binding: the D3R Grand Challenge 2015. J. Comput. Aided Mol. Des. 30(9): 743-751 (2016)
2012
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R. S. K. Vijayan, Neha Trivedi, Sudipendra Nath Roy, Indrani Bera, Prabu Manoharan, Pavan V. Payghan, Dhananjay Bhattacharyya, Nanda Ghoshal:
Modeling the Closed and Open State Conformations of the GABA_A Ion Channel - Plausible Structural Insights for Channel Gating. J. Chem. Inf. Model. 52(11): 2958-2969 (2012)
2010
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Prabu Manoharan, R. S. K. Vijayan, Nanda Ghoshal:
Rationalizing fragment based drug discovery for BACE1: insights from FB-QSAR, FB-QSSR, multi objective (MO-QSPR) and MIF studies. J. Comput. Aided Mol. Des. 24(10): 843-864 (2010)

2000 – 2009

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2009
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R. S. K. Vijayan, Prabu Manoharan, Nahren Manuel Mascarenhas, Nanda Ghoshal:
Hybrid Structure-Based Virtual Screening Protocol for the Identification of Novel BACE1 Inhibitors. J. Chem. Inf. Model. 49(3): 647-657 (2009)
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R. S. K. Vijayan, Indrani Bera, Prabu Manoharan, Sangita Saha, Nanda Ghoshal:
Combinatorial Library Enumeration and Lead Hopping using Comparative Interaction Fingerprint Analysis and Classical 2D QSAR Methods for Seeking Novel GABA_A α₃ Modulators. J. Chem. Inf. Model. 49(11): 2498-2511 (2009)

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