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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: ponder jw. 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.
Internal packing and protein structural classes.
Ponder JW, Richards FM. Ponder JW, et al. Cold Spring Harb Symp Quant Biol. 1987;52:421-8. doi: 10.1101/sqb.1987.052.01.049. Cold Spring Harb Symp Quant Biol. 1987. PMID: 2841069 No abstract available.
Current status of the AMOEBA polarizable force field.
Ponder JW, Wu C, Ren P, Pande VS, Chodera JD, Schnieders MJ, Haque I, Mobley DL, Lambrecht DS, DiStasio RA Jr, Head-Gordon M, Clark GN, Johnson ME, Head-Gordon T. Ponder JW, et al. J Phys Chem B. 2010 Mar 4;114(8):2549-64. doi: 10.1021/jp910674d. J Phys Chem B. 2010. PMID: 20136072 Free PMC article.
62 results