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MSCALE: A General Utility for Multiscale Modeling.
Woodcock HL, Miller BT, Hodoscek M, Okur A, Larkin JD, Ponder JW, Brooks BR. Woodcock HL, et al. Among authors: miller bt. J Chem Theory Comput. 2011 Apr 12;7(4):1208-1219. doi: 10.1021/ct100738h. J Chem Theory Comput. 2011. PMID: 21691425 Free PMC article.
Efficient Calculation of QM/MM Frequencies with the Mobile Block Hessian.
Ghysels A, Woodcock HL 3rd, Larkin JD, Miller BT, Shao Y, Kong J, Neck DV, Speybroeck VV, Waroquier M, Brooks BR. Ghysels A, et al. Among authors: miller bt. J Chem Theory Comput. 2011 Feb 8;7(2):496-514. doi: 10.1021/ct100473f. Epub 2011 Jan 6. J Chem Theory Comput. 2011. PMID: 26596169
Web-based computational chemistry education with CHARMMing I: Lessons and tutorial.
Miller BT, Singh RP, Schalk V, Pevzner Y, Sun J, Miller CS, Boresch S, Ichiye T, Brooks BR, Woodcock HL 3rd. Miller BT, et al. Among authors: miller cs. PLoS Comput Biol. 2014 Jul 24;10(7):e1003719. doi: 10.1371/journal.pcbi.1003719. eCollection 2014 Jul. PLoS Comput Biol. 2014. PMID: 25057988 Free PMC article.
154 results