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Conformation Generation: The State of the Art.
Hawkins PCD. Hawkins PCD. J Chem Inf Model. 2017 Aug 28;57(8):1747-1756. doi: 10.1021/acs.jcim.7b00221. Epub 2017 Jul 31. J Chem Inf Model. 2017. PMID: 28682617 Review.
How to do an evaluation: pitfalls and traps.
Hawkins PC, Warren GL, Skillman AG, Nicholls A. Hawkins PC, et al. J Comput Aided Mol Des. 2008 Mar-Apr;22(3-4):179-90. doi: 10.1007/s10822-007-9166-3. Epub 2008 Jan 23. J Comput Aided Mol Des. 2008. PMID: 18217218 Free PMC article. Review.
19 results