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 NCBI Filters

Text availability

Article attribute

Article type

Publication date

Search Results

926 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
Advanced Potential Energy Surfaces for Molecular Simulation.
Albaugh A, Boateng HA, Bradshaw RT, Demerdash ON, Dziedzic J, Mao Y, Margul DT, Swails J, Zeng Q, Case DA, Eastman P, Wang LP, Essex JW, Head-Gordon M, Pande VS, Ponder JW, Shao Y, Skylaris CK, Todorov IT, Tuckerman ME, Head-Gordon T. Albaugh A, et al. Among authors: wang lp. J Phys Chem B. 2016 Sep 22;120(37):9811-32. doi: 10.1021/acs.jpcb.6b06414. J Phys Chem B. 2016. PMID: 27513316 Free PMC article. Review.
OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation.
Eastman P, Friedrichs MS, Chodera JD, Radmer RJ, Bruns CM, Ku JP, Beauchamp KA, Lane TJ, Wang LP, Shukla D, Tye T, Houston M, Stich T, Klein C, Shirts MR, Pande VS. Eastman P, et al. Among authors: wang lp. J Chem Theory Comput. 2013 Jan 8;9(1):461-469. doi: 10.1021/ct300857j. Epub 2012 Oct 18. J Chem Theory Comput. 2013. PMID: 23316124 Free PMC article.
Systematic improvement of a classical molecular model of water.
Wang LP, Head-Gordon T, Ponder JW, Ren P, Chodera JD, Eastman PK, Martinez TJ, Pande VS. Wang LP, et al. J Phys Chem B. 2013 Aug 29;117(34):9956-72. doi: 10.1021/jp403802c. Epub 2013 Aug 14. J Phys Chem B. 2013. PMID: 23750713 Free PMC article.
Calculations of the electric fields in liquid solutions.
Fried SD, Wang LP, Boxer SG, Ren P, Pande VS. Fried SD, et al. Among authors: wang lp. J Phys Chem B. 2013 Dec 19;117(50):16236-48. doi: 10.1021/jp410720y. Epub 2013 Dec 10. J Phys Chem B. 2013. PMID: 24304155 Free PMC article.
Discovering chemistry with an ab initio nanoreactor.
Wang LP, Titov A, McGibbon R, Liu F, Pande VS, Martínez TJ. Wang LP, et al. Nat Chem. 2014 Dec;6(12):1044-8. doi: 10.1038/nchem.2099. Epub 2014 Nov 2. Nat Chem. 2014. PMID: 25411881 Free PMC article.
926 results