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Virtual Screening in the Cloud: How Big Is Big Enough?
Grebner C, Malmerberg E, Shewmaker A, Batista J, Nicholls A, Sadowski J. Grebner C, et al. Among authors: nicholls a. J Chem Inf Model. 2020 Sep 28;60(9):4274-4282. doi: 10.1021/acs.jcim.9b00779. Epub 2019 Nov 14. J Chem Inf Model. 2020. PMID: 31682421
How to do an evaluation: pitfalls and traps.
Hawkins PC, Warren GL, Skillman AG, Nicholls A. Hawkins PC, et al. Among authors: nicholls a. 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.
What do we know and when do we know it?
Nicholls A. Nicholls A. J Comput Aided Mol Des. 2008 Mar-Apr;22(3-4):239-55. doi: 10.1007/s10822-008-9170-2. Epub 2008 Feb 6. J Comput Aided Mol Des. 2008. PMID: 18253702 Free PMC article. Review.
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
Statistics in molecular modeling: a summary.
Nicholls A. Nicholls A. J Comput Aided Mol Des. 2016 Apr;30(4):279-80. doi: 10.1007/s10822-016-9907-2. Epub 2016 Mar 21. J Comput Aided Mol Des. 2016. PMID: 27001050 No abstract available.
513 results