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Testing inhomogeneous solvation theory in structure-based ligand discovery.
Balius TE, Fischer M, Stein RM, Adler TB, Nguyen CN, Cruz A, Gilson MK, Kurtzman T, Shoichet BK. Balius TE, et al. Among authors: adler tb. Proc Natl Acad Sci U S A. 2017 Aug 15;114(33):E6839-E6846. doi: 10.1073/pnas.1703287114. Epub 2017 Jul 31. Proc Natl Acad Sci U S A. 2017. PMID: 28760952 Free PMC article.
General orbital invariant MP2-F12 theory.
Werner HJ, Adler TB, Manby FR. Werner HJ, et al. Among authors: adler tb. J Chem Phys. 2007 Apr 28;126(16):164102. doi: 10.1063/1.2712434. J Chem Phys. 2007. PMID: 17477584
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