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Page 1
Evaluation of DOCK 6 as a pose generation and database enrichment tool.
Brozell SR, Mukherjee S, Balius TE, Roe DR, Case DA, Rizzo RC. Brozell SR, et al. Among authors: case da. J Comput Aided Mol Des. 2012 Jun;26(6):749-73. doi: 10.1007/s10822-012-9565-y. Epub 2012 May 9. J Comput Aided Mol Des. 2012. PMID: 22569593 Free PMC article.
DOCK 6: combining techniques to model RNA-small molecule complexes.
Lang PT, Brozell SR, Mukherjee S, Pettersen EF, Meng EC, Thomas V, Rizzo RC, Case DA, James TL, Kuntz ID. Lang PT, et al. Among authors: case da. RNA. 2009 Jun;15(6):1219-30. doi: 10.1261/rna.1563609. Epub 2009 Apr 15. RNA. 2009. PMID: 19369428 Free PMC article.
DOCK 6: Impact of new features and current docking performance.
Allen WJ, Balius TE, Mukherjee S, Brozell SR, Moustakas DT, Lang PT, Case DA, Kuntz ID, Rizzo RC. Allen WJ, et al. Among authors: case da. J Comput Chem. 2015 Jun 5;36(15):1132-56. doi: 10.1002/jcc.23905. J Comput Chem. 2015. PMID: 25914306 Free PMC article.
AmberTools.
Case DA, Aktulga HM, Belfon K, Cerutti DS, Cisneros GA, Cruzeiro VWD, Forouzesh N, Giese TJ, Götz AW, Gohlke H, Izadi S, Kasavajhala K, Kaymak MC, King E, Kurtzman T, Lee TS, Li P, Liu J, Luchko T, Luo R, Manathunga M, Machado MR, Nguyen HM, O'Hearn KA, Onufriev AV, Pan F, Pantano S, Qi R, Rahnamoun A, Risheh A, Schott-Verdugo S, Shajan A, Swails J, Wang J, Wei H, Wu X, Wu Y, Zhang S, Zhao S, Zhu Q, Cheatham TE 3rd, Roe DR, Roitberg A, Simmerling C, York DM, Nagan MC, Merz KM Jr. Case DA, et al. J Chem Inf Model. 2023 Oct 23;63(20):6183-6191. doi: 10.1021/acs.jcim.3c01153. Epub 2023 Oct 8. J Chem Inf Model. 2023. PMID: 37805934 Free PMC article.
Energetic selection of topology in ferredoxins.
Kim JD, Rodriguez-Granillo A, Case DA, Nanda V, Falkowski PG. Kim JD, et al. Among authors: case da. PLoS Comput Biol. 2012;8(4):e1002463. doi: 10.1371/journal.pcbi.1002463. Epub 2012 Apr 5. PLoS Comput Biol. 2012. PMID: 22496635 Free PMC article.
248 results