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Constant-pH Simulations with the Polarizable Atomic Multipole AMOEBA Force Field.
Thiel AC, Speranza MJ, Jadhav S, Stevens LL, Unruh DK, Ren P, Ponder JW, Shen J, Schnieders MJ. Thiel AC, et al. Among authors: shen j. J Chem Theory Comput. 2024 Apr 9;20(7):2921-2933. doi: 10.1021/acs.jctc.3c01180. Epub 2024 Mar 20. J Chem Theory Comput. 2024. PMID: 38507252 Free PMC article.
Force Field X: A computational microscope to study genetic variation and organic crystals using theory and experiment.
Gogal RA, Nessler AJ, Thiel AC, Bernabe HV, Corrigan Grove RA, Cousineau LM, Litman JM, Miller JM, Qi G, Speranza MJ, Tollefson MR, Fenn TD, Michaelson JJ, Okada O, Piquemal JP, Ponder JW, Shen J, Smith RJH, Yang W, Ren P, Schnieders MJ. Gogal RA, et al. Among authors: shen j. J Chem Phys. 2024 Jul 7;161(1):012501. doi: 10.1063/5.0214652. J Chem Phys. 2024. PMID: 38958156 Free PMC article.
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