Nagarajan Vaidehi - researchr alias

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Viewing Publication 1 - 11 from 11

2025

BaNDyT: Bayesian Network Modeling of Molecular Dynamics TrajectoriesElizaveta Mukhaleva, Babgen Manookian, Hanyu Chen, Indira R. Sivaraj, Ning Ma, WenYuan Wei, Konstancja Urbaniak, Grigoriy Gogoshin, Supriyo Bhattacharya, Nagarajan Vaidehi, Andrei S. Rodin, Sergio Branciamore. jcisd, 65(3):1278-1288, 2025. [doi]

2019

Prediction of Conformation Specific Thermostabilizing Mutations for Class A G Protein-Coupled ReceptorsSuvamay Jana, Soumadwip Ghosh, Sanychen Muk, Benjamin Levy, Nagarajan Vaidehi. jcisd, 59(9):3744-3754, 2019. [doi]

2017

How Does the Proliferating Cell Nuclear Antigen Modulate Binding Specificity to Multiple Partner Proteins?Hubert Li, Manbir Sandhu, Linda H. Malkas, Robert J. Hickey, Nagarajan Vaidehi. jcisd, 57(12):3011-3021, December 2017. [doi]

2014

2013

Advanced techniques for constrained internal coordinate molecular dynamicsJeffrey R. Wagner, Gouthaman S. Balaraman, Michiel J. M. Niesen, Adrien B. Larsen, Abhinandan Jain, Nagarajan Vaidehi. jcc, 34(11):904-914, 2013. [doi]

2011

Importance of Receptor Flexibility in Binding of Cyclam Compounds to the Chemokine Receptor CXCR4Alfonso Lam, Supriyo Bhattacharya, Kevin Patel, Spencer Hall, Allen Mao, Nagarajan Vaidehi. jcisd, 51(1):139-147, 2011. [doi]

2010

Allosteric antagonist binding sites in class B GPCRs: corticotropin receptor 1Supriyo Bhattacharya, Govindan Subramanian, Spencer Hall, Jianping Lin, Abdelazize Laoui, Nagarajan Vaidehi. jcamd, 24(8):659-674, 2010. [doi]

2005

The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystalsArt E. Cho, John A. Wendel, Nagarajan Vaidehi, Peter M. Kekenes-Huskey, Welly B. Floriano, Prabal K. Maiti, William A. Goddard III. jcc, 26(1):48-71, 2005. [doi]

1997

Molecular dynamics for very large systems on massively parallel computers: The MPSim programKian-Tat Lim, Sharon Brunett, Mihail Iotov, Richard B. McClurg, Nagarajan Vaidehi, Siddharth Dasgupta, Stephen Taylor, William A. Goddard III. jcc, 18(4):501-521, 1997. [doi]

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