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Page 1
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: eastman pk. 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.
Escaping Atom Types in Force Fields Using Direct Chemical Perception.
Mobley DL, Bannan CC, Rizzi A, Bayly CI, Chodera JD, Lim VT, Lim NM, Beauchamp KA, Slochower DR, Shirts MR, Gilson MK, Eastman PK. Mobley DL, et al. Among authors: eastman pk. J Chem Theory Comput. 2018 Nov 13;14(11):6076-6092. doi: 10.1021/acs.jctc.8b00640. Epub 2018 Oct 30. J Chem Theory Comput. 2018. PMID: 30351006 Free PMC article.
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field.
Lee J, Cheng X, Swails JM, Yeom MS, Eastman PK, Lemkul JA, Wei S, Buckner J, Jeong JC, Qi Y, Jo S, Pande VS, Case DA, Brooks CL 3rd, MacKerell AD Jr, Klauda JB, Im W. Lee J, et al. Among authors: eastman pk. J Chem Theory Comput. 2016 Jan 12;12(1):405-13. doi: 10.1021/acs.jctc.5b00935. Epub 2015 Dec 3. J Chem Theory Comput. 2016. PMID: 26631602 Free PMC article.