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Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy.
J Med Chem. 2004 Mar 25;47(7):1739-49. doi: 10.1021/jm0306430.
J Med Chem. 2004.
PMID: 15027865
Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes.
Friesner RA, Murphy RB, Repasky MP, Frye LL, Greenwood JR, Halgren TA, Sanschagrin PC, Mainz DT.
Friesner RA, et al. Among authors: mainz dt.
J Med Chem. 2006 Oct 19;49(21):6177-96. doi: 10.1021/jm051256o.
J Med Chem. 2006.
PMID: 17034125
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Integrated Modeling Program, Applied Chemical Theory (IMPACT).
Banks JL, Beard HS, Cao Y, Cho AE, Damm W, Farid R, Felts AK, Halgren TA, Mainz DT, Maple JR, Murphy R, Philipp DM, Repasky MP, Zhang LY, Berne BJ, Friesner RA, Gallicchio E, Levy RM.
Banks JL, et al. Among authors: mainz dt.
J Comput Chem. 2005 Dec;26(16):1752-80. doi: 10.1002/jcc.20292.
J Comput Chem. 2005.
PMID: 16211539
Free PMC article.
Review.
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Stabilization of coiled-coil peptide domains by introduction of trifluoroleucine.
Tang Y, Ghirlanda G, Vaidehi N, Kua J, Mainz DT, Goddard III WA, DeGrado WF, Tirrell DA.
Tang Y, et al. Among authors: mainz dt.
Biochemistry. 2001 Mar 6;40(9):2790-6. doi: 10.1021/bi0022588.
Biochemistry. 2001.
PMID: 11258889
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