Structural basis of actin monomer re-charging by cyclase-associated protein

dc.contributor.affiliationInstitute of Biotechnology, University of Helsinki, Finland-Pekka Lappalainen
dc.contributor.authorPekka Lappalainen
dc.contributor.roleGiray Enkavi DataCurator
dc.date.accessioned2025-04-29T14:03:00Z
dc.date.issued2018-01-31
dc.date.issued2018-01-31
dc.description1) table_of_simulations.pdf:  table of simulations 2) toppar_HIC.str: methylhistidine (HIC) topologies and parameters      -prepared based on analogy      -to be used with top_all36_prot.rtf and par_all36_prot.prm 3) simulation_archive.tar.gz     The Contents: 1_ADP-Actin--CARP, 2_ADP-Actin--CAP1, 3_ATP-Actin--WH2, 4_ADP-Actin All systems presented in the paper; see table_of_simulations.pdf Each directory contains 000README  gromacs_topologies  gromacs_tpr_files  index.ndx  processed_trajectories  prod.mdp  systems_at_t=0 *** The rosetta models for WH2 domain and the proline-rich loop that connects it to the CARP domain can be found in  2_ADP-Actin--CAP1/rosetta_models _Topologies:     toppar_c36_jul16:         The charmm force field version used to generate topologies before conversion to gromacs; see 000README in the systems directory         ***toppar_c36_jul16/toppar_HIC.str: The topology and parameters for methylated histidine used in the simulations.     gromacs_topologies:     Contains all itp files (converted from  psf file using PyTopol's psf2top utility) and parameters.     Note that relevant files can also be found in directories corresponding to each system ( 1_ADP-Actin--CARP  2_ADP-Actin--CAP1  3_ATP-Actin--WH2  4_ADP-Actin)  
dc.identifierhttps://doi.org/10.5281/zenodo.1163032
dc.identifier.urihttps://datakatalogi.helsinki.fi/handle/123456789/5487
dc.rights.licensecc-by-4.0
dc.subjectcytoskeleton
dc.subjectcell migration
dc.subjectactin
dc.subjectnucleotide exchange
dc.subjectcyclase-associate protein
dc.subjectcofilin
dc.subjectprofilin
dc.subjectatomistic simulation
dc.subjectmolecular dynamics
dc.subjectcrystal structure
dc.subjectbudding yeast
dc.subjectmethylhistidine
dc.titleStructural basis of actin monomer re-charging by cyclase-associated protein
dc.typedataset
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