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	1.	Development of OPLS-AA Force Field Parameters for 68 Unique Ionic Liquids. [electronic resource] by Sambasivarao, Somisetti V Acevedo, Orlando Producer: 20151201 In: Journal of chemical theory and computation vol. 5 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Computational insight into small molecule inhibition of cyclophilins. [electronic resource] by Sambasivarao, Somisetti V Acevedo, Orlando Producer: 20110602 In: Journal of chemical information and modeling vol. 51 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	An ionic liquid dependent mechanism for base catalyzed β-elimination reactions from QM/MM simulations. [electronic resource] by Allen, Caley Sambasivarao, Somisetti V Acevedo, Orlando Producer: 20130709 In: Journal of the American Chemical Society vol. 135 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations. [electronic resource] by Vilseck, Jonah Z Sambasivarao, Somisetti V Acevedo, Orlando Producer: 20111108 In: Journal of computational chemistry vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Computational evaluations of charge coupling and hydrogen bonding in the active site of a family 7 cellobiohydrolase. [electronic resource] by Granum, David M Vyas, Shubham Sambasivarao, Somisetti V Maupin, C Mark Producer: 20150420 In: The journal of physical chemistry. B vol. 118 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Identification of HIV inhibitors guided by free energy perturbation calculations. [electronic resource] by Acevedo, Orlando Ambrose, Zandrea Flaherty, Patrick T Aamer, Hadega Jain, Prashi Sambasivarao, Somisetti V Producer: 20120716 In: Current pharmaceutical design vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Acetylcholine promotes binding of α-conotoxin MII at α3 β2 nicotinic acetylcholine receptors. [electronic resource] by Sambasivarao, Somisetti V Roberts, Jessica Bharadwaj, Vivek S Slingsby, Jason G Rohleder, Conrad Mallory, Chris Groome, James R McDougal, Owen M Maupin, C Mark Producer: 20140929 In: Chembiochem : a European journal of chemical biology vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Strain-Dependent Activation and Inhibition of Human Immunodeficiency Virus Entry by a Specific PF-68742 Stereoisomer. [electronic resource] by Zhao, Connie Princiotto, Amy M Nguyen, Hanh T Zou, Shitao Zhao, Meiqing Lily Zhang, Shijian Herschhorn, Alon Farrell, Mark Pahil, Karanbir Melillo, Bruno Sambasivarao, Somisetti V Abrams, Cameron Smith, Amos B Madani, Navid Sodroski, Joseph Producer: 20200610 In: Journal of virology vol. 93 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)