Atomistic-scale insights into the crosslinking of polyethylene induced by peroxides

Autor: Akbarian, Dooman, Hamedi, Hossein, Damirchi, Behzad, Yilmaz, Dundar E., Penrod, Katheryn, Woodward, W.H. Hunter, Moore, Jonathan, Lanagan, Michael T., van Duin, Adri C.T.

Publikováno v: In Polymer 21 November 2019 183

Binding by TRBP-dsRBD2 Does Not Induce Bending of Double-Stranded RNA

Autor: Acevedo, Roderico, Evans, Declan, Penrod, Katheryn A., Showalter, Scott A.

Publikováno v: In Biophysical Journal 21 June 2016 110(12):2610-2617

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Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields.

Autor: Leven I; Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, United States.; Chemical Sciences Division, Lawrence Berkeley National LaboratoryBerkeley, California 94720, United States., Hao H; Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, United States.; Chemical Sciences Division, Lawrence Berkeley National LaboratoryBerkeley, California 94720, United States., Tan S; College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China., Guan X; Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, United States.; Chemical Sciences Division, Lawrence Berkeley National LaboratoryBerkeley, California 94720, United States., Penrod KA; Department of Mechanical Engineering, Chemical Engineering, Engineering Science and Mechanics, Chemistry, Materials Science and Engineering, Penn State University, 240 Research East, University Park, Pennsylvania 16802, United States., Akbarian D; Department of Mechanical Engineering, Chemical Engineering, Engineering Science and Mechanics, Chemistry, Materials Science and Engineering, Penn State University, 240 Research East, University Park, Pennsylvania 16802, United States., Evangelisti B; Department of Mechanical Engineering, Chemical Engineering, Engineering Science and Mechanics, Chemistry, Materials Science and Engineering, Penn State University, 240 Research East, University Park, Pennsylvania 16802, United States., Hossain MJ; Department of Mechanical Engineering, Chemical Engineering, Engineering Science and Mechanics, Chemistry, Materials Science and Engineering, Penn State University, 240 Research East, University Park, Pennsylvania 16802, United States., Islam MM; Department of Mechanical Engineering, Wayne State University, Detroit, Michigan 48202, United States., Koski JP; Sandia National Laboratories, Albuquerque, New Mexico 87185-1315, United States., Moore S; Sandia National Laboratories, Albuquerque, New Mexico 87185-1315, United States., Aktulga HM; Department of Computer Science and Engineering, Michigan State University, East Lansing, Michigan 48824, United States., van Duin ACT; Department of Mechanical Engineering, Chemical Engineering, Engineering Science and Mechanics, Chemistry, Materials Science and Engineering, Penn State University, 240 Research East, University Park, Pennsylvania 16802, United States., Head-Gordon T; Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, United States.; Chemical Sciences Division, Lawrence Berkeley National LaboratoryBerkeley, California 94720, United States.; Departments of Bioengineering and Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720, United States.

Publikováno v: Journal of chemical theory and computation [J Chem Theory Comput] 2021 Jun 08; Vol. 17 (6), pp. 3237-3251. Date of Electronic Publication: 2021 May 10.