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Automated Transition State Search and Its Application to Diverse Types of Organic Reactions.
Jacobson LD, Bochevarov AD, Watson MA, Hughes TF, Rinaldo D, Ehrlich S, Steinbrecher TB, Vaitheeswaran S, Philipp DM, Halls MD, Friesner RA. Jacobson LD, et al. Among authors: vaitheeswaran s. J Chem Theory Comput. 2017 Nov 14;13(11):5780-5797. doi: 10.1021/acs.jctc.7b00764. Epub 2017 Oct 17. J Chem Theory Comput. 2017. PMID: 28957627
Protein stability at a carbon nanotube interface.
Vaitheeswaran S, Garcia AE. Vaitheeswaran S, et al. J Chem Phys. 2011 Mar 28;134(12):125101. doi: 10.1063/1.3558776. J Chem Phys. 2011. PMID: 21456701 Free PMC article.
Water clusters in nonpolar cavities.
Vaitheeswaran S, Yin H, Rasaiah JC, Hummer G. Vaitheeswaran S, et al. Proc Natl Acad Sci U S A. 2004 Dec 7;101(49):17002-5. doi: 10.1073/pnas.0407968101. Epub 2004 Nov 30. Proc Natl Acad Sci U S A. 2004. PMID: 15572444 Free PMC article.
14 results