Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My Custom Filters

Results by year

Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2004 1
2005 3
2006 2
2007 1
2008 3
2009 3
2010 6
2011 4
2012 8
2014 4
2015 2
2016 8
2017 1
2018 8
2019 5
2020 6
2021 2
2022 6
2023 3
2024 8
2025 0

Publication date

Text availability

Article attribute

Article type

Additional filters

Article Language

Species

Sex

Age

Other

Search Results

81 results

Results by year

Filters applied: . Clear all
Page 1
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.
Logic operations with active topological defects.
Zhang R, Mozaffari A, de Pablo JJ. Zhang R, et al. Sci Adv. 2022 Feb 25;8(8):eabg9060. doi: 10.1126/sciadv.abg9060. Epub 2022 Feb 23. Sci Adv. 2022. PMID: 35196084 Free PMC article.
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.
Open-source software: not quite endsville.
Stahl MT. Stahl MT. Drug Discov Today. 2005 Feb 1;10(3):219-22. doi: 10.1016/S1359-6446(04)03364-1. Drug Discov Today. 2005. PMID: 15708537 Review.
81 results