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Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop.
Adams PD, Aertgeerts K, Bauer C, Bell JA, Berman HM, Bhat TN, Blaney JM, Bolton E, Bricogne G, Brown D, Burley SK, Case DA, Clark KL, Darden T, Emsley P, Feher VA, Feng Z, Groom CR, Harris SF, Hendle J, Holder T, Joachimiak A, Kleywegt GJ, Krojer T, Marcotrigiano J, Mark AE, Markley JL, Miller M, Minor W, Montelione GT, Murshudov G, Nakagawa A, Nakamura H, Nicholls A, Nicklaus M, Nolte RT, Padyana AK, Peishoff CE, Pieniazek S, Read RJ, Shao C, Sheriff S, Smart O, Soisson S, Spurlino J, Stouch T, Svobodova R, Tempel W, Terwilliger TC, Tronrud D, Velankar S, Ward SC, Warren GL, Westbrook JD, Williams P, Yang H, Young J. Adams PD, et al. Among authors: nicholls a. Structure. 2016 Apr 5;24(4):502-508. doi: 10.1016/j.str.2016.02.017. Structure. 2016. PMID: 27050687 Free PMC article.
The character of molecular modeling.
Nicholls A. Nicholls A. J Comput Aided Mol Des. 2012 Jan;26(1):103-5. doi: 10.1007/s10822-011-9520-3. Epub 2011 Dec 17. J Comput Aided Mol Des. 2012. PMID: 22180048
The SAMPL2 blind prediction challenge: introduction and overview.
Geballe MT, Skillman AG, Nicholls A, Guthrie JP, Taylor PJ. Geballe MT, et al. Among authors: nicholls a. J Comput Aided Mol Des. 2010 Apr;24(4):259-79. doi: 10.1007/s10822-010-9350-8. Epub 2010 May 9. J Comput Aided Mol Des. 2010. PMID: 20455007
480 results