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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: pande vs. 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.
Current status of the AMOEBA polarizable force field.
Ponder JW, Wu C, Ren P, Pande VS, Chodera JD, Schnieders MJ, Haque I, Mobley DL, Lambrecht DS, DiStasio RA Jr, Head-Gordon M, Clark GN, Johnson ME, Head-Gordon T. Ponder JW, et al. Among authors: pande vs. J Phys Chem B. 2010 Mar 4;114(8):2549-64. doi: 10.1021/jp910674d. J Phys Chem B. 2010. PMID: 20136072 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. 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.
Accelerating molecular dynamic simulation on graphics processing units.
Friedrichs MS, Eastman P, Vaidyanathan V, Houston M, Legrand S, Beberg AL, Ensign DL, Bruns CM, Pande VS. Friedrichs MS, et al. Among authors: pande vs. J Comput Chem. 2009 Apr 30;30(6):864-72. doi: 10.1002/jcc.21209. J Comput Chem. 2009. PMID: 19191337 Free PMC article.
293 results