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Equilibrium molecular thermodynamics from Kirkwood sampling.
Somani S, Okamoto Y, Ballard AJ, Wales DJ. Somani S, et al. Among authors: wales dj. J Phys Chem B. 2015 May 21;119(20):6155-69. doi: 10.1021/acs.jpcb.5b01800. Epub 2015 May 12. J Phys Chem B. 2015. PMID: 25915525 Free PMC article.
Intrinsically disordered energy landscapes.
Chebaro Y, Ballard AJ, Chakraborty D, Wales DJ. Chebaro Y, et al. Among authors: wales dj. Sci Rep. 2015 May 22;5:10386. doi: 10.1038/srep10386. Sci Rep. 2015. PMID: 25999294 Free PMC article.
Structures and Energy Landscapes of Hydrated Sulfate Clusters.
Smeeton LC, Farrell JD, Oakley MT, Wales DJ, Johnston RL. Smeeton LC, et al. Among authors: wales dj. J Chem Theory Comput. 2015 May 12;11(5):2377-84. doi: 10.1021/acs.jctc.5b00151. Epub 2015 Apr 10. J Chem Theory Comput. 2015. PMID: 26574432
277 results