title: Trajectories of microsecond molecular dynamics simulations of nucleosomes and nucleosome core particles.
abstract: We present here raw trajectories of molecular dynamics simulations for nucleosome with linker DNA strands as well as minimalistic nucleosome core particle model. The simulations were done in explicit solvent using CHARMM36 force field. We used this data in the research article Shaytan et al., 2016 [1]. The trajectory files are supplemented by TCL scripts providing advanced visualization capabilities.
authors.affiliation: National Center for Biotechnology Information, NLM, NIH, Bethesda, MD 20894, United States; Biology Department, Lomonosov Moscow State University, Moscow 119991, Russia.
authors.forename: Alexey K
authors.initials: AK
authors.lastname: Shaytan
authors.affiliation: Biology Department, Lomonosov Moscow State University, Moscow 119991, Russia.
authors.forename: Grigoriy A
authors.initials: GA
authors.lastname: Armeev
authors.affiliation: National Center for Biotechnology Information, NLM, NIH, Bethesda, MD 20894, United States.
authors.forename: Alexander
authors.initials: A
authors.lastname: Goncearenco
authors.affiliation: Laboratory of Cell Biology, National Cancer Institute, NIH, Bethesda, MD 20892, United States.
authors.forename: Victor B
authors.initials: VB
authors.lastname: Zhurkin
authors.affiliation: National Center for Biotechnology Information, NLM, NIH, Bethesda, MD 20894, United States.
authors.forename: David
authors.initials: D
authors.lastname: Landsman
authors.affiliation: National Center for Biotechnology Information, NLM, NIH, Bethesda, MD 20894, United States.
authors.forename: Anna R
authors.initials: AR
authors.lastname: Panchenko
keywords: Histone; Histone tails; Linker DNA; Molecular dynamics; Nucleosome