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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: wei s. 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.
Molecular Interactions between Graphene and Biological Molecules.
Zou X, Wei S, Jasensky J, Xiao M, Wang Q, Brooks Iii CL, Chen Z. Zou X, et al. Among authors: wei s. J Am Chem Soc. 2017 Feb 8;139(5):1928-1936. doi: 10.1021/jacs.6b11226. Epub 2017 Jan 27. J Am Chem Soc. 2017. PMID: 28092440
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