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Nagarajan Vaidehi
ORCID
Publication Activity (10 Years)
Years Active: 1997-2019
Publications (10 Years): 2
Top Topics
High Performance Computing
Fine Grained
Scientific Data
Protein Folding
Top Venues
J. Chem. Inf. Model.
J. Comput. Chem.
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Publications
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Suvamay Jana
,
Soumadwip Ghosh
,
Sanychen Muk
,
Benjamin Levy
,
Nagarajan Vaidehi
Prediction of Conformation Specific Thermostabilizing Mutations for Class A G Protein-Coupled Receptors.
J. Chem. Inf. Model.
59 (9) (2019)
Hubert Li
,
Manbir Sandhu
,
Linda H. Malkas
,
Robert J. Hickey
,
Nagarajan Vaidehi
How Does the Proliferating Cell Nuclear Antigen Modulate Binding Specificity to Multiple Partner Proteins?
J. Chem. Inf. Model.
57 (12) (2017)
Hubert Li
,
Vinod Kasam
,
Christofer S. Tautermann
,
Daniel Seeliger
,
Nagarajan Vaidehi
Computational Method To Identify Druggable Binding Sites That Target Protein-Protein Interactions.
J. Chem. Inf. Model.
54 (5) (2014)
Adrien B. Larsen
,
Jeffrey R. Wagner
,
Abhinandan Jain
,
Nagarajan Vaidehi
Protein Structure Refinement of CASP Target Proteins Using GNEIMO Torsional Dynamics Method.
J. Chem. Inf. Model.
54 (2) (2014)
Adrien B. Larsen
,
Jeffrey R. Wagner
,
Saugat Kandel
,
Romelia Salomón-Ferrer
,
Nagarajan Vaidehi
,
Abhinandan Jain
GneimoSim: A modular internal coordinates molecular dynamics simulation package.
J. Comput. Chem.
35 (31) (2014)
Jeffrey R. Wagner
,
Gouthaman S. Balaraman
,
Michiel J. M. Niesen
,
Adrien B. Larsen
,
Abhinandan Jain
,
Nagarajan Vaidehi
Advanced techniques for constrained internal coordinate molecular dynamics.
J. Comput. Chem.
34 (11) (2013)
Alfonso Lam
,
Supriyo Bhattacharya
,
Kevin Patel
,
Spencer Hall
,
Allen Mao
,
Nagarajan Vaidehi
Importance of Receptor Flexibility in Binding of Cyclam Compounds to the Chemokine Receptor CXCR4.
J. Chem. Inf. Model.
51 (1) (2011)
Supriyo Bhattacharya
,
Govindan Subramanian
,
Spencer Hall
,
Jianping Lin
,
Abdelazize Laoui
,
Nagarajan Vaidehi
Allosteric antagonist binding sites in class B GPCRs: corticotropin receptor 1.
J. Comput. Aided Mol. Des.
24 (8) (2010)
Art E. Cho
,
John A. Wendel
,
Nagarajan Vaidehi
,
Peter M. Kekenes-Huskey
,
Wely B. Floriano
,
Prabal K. Maiti
,
William A. Goddard III
The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals.
J. Comput. Chem.
26 (1) (2005)
Kian-Tat Lim
,
Sharon Brunett
,
Mihail Iotov
,
Richard B. McClurg
,
Nagarajan Vaidehi
,
Siddharth Dasgupta
,
Stephen Taylor
,
William A. Goddard III
Molecular dynamics for very large systems on massively parallel computers: The MPSim program.
J. Comput. Chem.
18 (4) (1997)