Nagarajan Vaidehi

11 papers Journal 11

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	BaNDyT: Bayesian Network Modeling of Molecular Dynamics Trajectories. J. Chem. Inf. Model. Elizaveta 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
2019	J	`jnl`	Prediction of Conformation Specific Thermostabilizing Mutations for Class A G Protein-Coupled Receptors. J. Chem. Inf. Model. Suvamay Jana, Soumadwip Ghosh, Sanychen Muk, Benjamin Levy, Nagarajan Vaidehi
2017	J	`jnl`	How Does the Proliferating Cell Nuclear Antigen Modulate Binding Specificity to Multiple Partner Proteins? J. Chem. Inf. Model. Hubert Li, Manbir Sandhu, Linda H. Malkas, Robert J. Hickey, Nagarajan Vaidehi
2014	J	`jnl`	Computational Method To Identify Druggable Binding Sites That Target Protein-Protein Interactions. J. Chem. Inf. Model. Hubert Li, Vinod Kasam, Christofer S. Tautermann, Daniel Seeliger, Nagarajan Vaidehi
2014	J	`jnl`	GneimoSim: A modular internal coordinates molecular dynamics simulation package. J. Comput. Chem. Adrien B. Larsen, Jeffrey R. Wagner, Saugat Kandel, Romelia Salomón-Ferrer, Nagarajan Vaidehi, Abhinandan Jain
2014	J	`jnl`	Protein Structure Refinement of CASP Target Proteins Using GNEIMO Torsional Dynamics Method. J. Chem. Inf. Model. Adrien B. Larsen, Jeffrey R. Wagner, Abhinandan Jain, Nagarajan Vaidehi
2013	J	`jnl`	Advanced techniques for constrained internal coordinate molecular dynamics. J. Comput. Chem. Jeffrey R. Wagner, Gouthaman S. Balaraman, Michiel J. M. Niesen, Adrien B. Larsen, Abhinandan Jain, Nagarajan Vaidehi
2011	J	`jnl`	Importance of Receptor Flexibility in Binding of Cyclam Compounds to the Chemokine Receptor CXCR4. J. Chem. Inf. Model. Alfonso Lam, Supriyo Bhattacharya, Kevin Patel, Spencer Hall, Allen Mao, Nagarajan Vaidehi
2010	J	`jnl`	Allosteric antagonist binding sites in class B GPCRs: corticotropin receptor 1. J. Comput. Aided Mol. Des. Supriyo Bhattacharya, Govindan Subramanian, Spencer Hall, Jianping Lin, Abdelazize Laoui, Nagarajan Vaidehi
2005	J	`jnl`	The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals. J. Comput. Chem. Art E. Cho, John A. Wendel, Nagarajan Vaidehi, Peter M. Kekenes-Huskey, Wely B. Floriano, Prabal K. Maiti, William A. Goddard III
1997	J	`jnl`	Molecular dynamics for very large systems on massively parallel computers: The MPSim program. J. Comput. Chem. Kian-Tat Lim, Sharon Brunett, Mihail Iotov, Richard B. McClurg, Nagarajan Vaidehi, Siddharth Dasgupta, Stephen Taylor, William A. Goddard III