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CCL: an algorithm for the efficient comparison of clusters.
Hundt R, Schön JC, Neelamraju S, Zagorac J, Jansen M. Hundt R, et al. Among authors: neelamraju s. J Appl Crystallogr. 2013 Jun 1;46(Pt 3):587-593. doi: 10.1107/S0021889813006894. Epub 2013 Apr 6. J Appl Crystallogr. 2013. PMID: 23682193 Free PMC article.
Applications of crystal structure prediction - organic molecular structures: general discussion.
Adjiman CS, Brandenburg JG, Braun DE, Cole J, Collins C, Cooper AI, Cruz-Cabeza AJ, Day GM, Dudek M, Hare A, Iuzzolino L, McKay D, Mitchell JBO, Mohamed S, Neelamraju S, Neumann M, Nilsson Lill S, Nyman J, Oganov AR, Price SL, Pulido A, Reutzel-Edens S, Rietveld I, Ruggiero MT, Schön JC, Tsuzuki S, van den Ende J, Woollam G, Zhu Q. Adjiman CS, et al. Among authors: neelamraju s. Faraday Discuss. 2018 Oct 26;211(0):493-539. doi: 10.1039/c8fd90032a. Faraday Discuss. 2018. PMID: 30285020 No abstract available.
Energy Landscape of the Designed Protein Top7.
Neelamraju S, Gosavi S, Wales DJ. Neelamraju S, et al. J Phys Chem B. 2018 Dec 27;122(51):12282-12291. doi: 10.1021/acs.jpcb.8b08499. Epub 2018 Dec 12. J Phys Chem B. 2018. PMID: 30495947
35 results