Somisetti V. Sambasivarao, Ph.D.

Affiliations: 
2011 Auburn University, Auburn, AL, United States 
Area:
Biochemistry
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"Somisetti Sambasivarao"
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Orlando Acevedo grad student 2011 Auburn University
 (Elucidation of Cyclophilin Inhibition through Free Energy Perturbation Simulations and the Development of Custom Ionic Liquid Force Fields.)
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Publications

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Sambasivarao SV, Roberts J, Bharadwaj VS, et al. (2014) Acetylcholine promotes binding of α-conotoxin MII at α3 β2 nicotinic acetylcholine receptors. Chembiochem : a European Journal of Chemical Biology. 15: 413-24
McDougal OM, Cornia N, Sambasivarao SV, et al. (2014) Homology modeling and molecular docking for the science curriculum. Biochemistry and Molecular Biology Education : a Bimonthly Publication of the International Union of Biochemistry and Molecular Biology. 42: 179-82
Granum DM, Vyas S, Sambasivarao SV, et al. (2014) Computational evaluations of charge coupling and hydrogen bonding in the active site of a family 7 cellobiohydrolase. The Journal of Physical Chemistry. B. 118: 434-48
Allen C, Sambasivarao SV, Acevedo O. (2013) An ionic liquid dependent mechanism for base catalyzed β-elimination reactions from QM/MM simulations. Journal of the American Chemical Society. 135: 1065-72
Acevedo O, Ambrose Z, Flaherty PT, et al. (2012) Identification of HIV inhibitors guided by free energy perturbation calculations. Current Pharmaceutical Design. 18: 1199-216
Vilseck JZ, Sambasivarao SV, Acevedo O. (2011) Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations. Journal of Computational Chemistry. 32: 2836-42
Sambasivarao SV, Acevedo O. (2011) Computational insight into small molecule inhibition of cyclophilins. Journal of Chemical Information and Modeling. 51: 475-82
Sambasivarao SV, Acevedo O. (2009) Development of OPLS-AA Force Field Parameters for 68 Unique Ionic Liquids. Journal of Chemical Theory and Computation. 5: 1038-50
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