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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. Among authors: pande vs. 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: pande vs. 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.
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: pande vs. 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.
293 results