Molecular Dynamics of CL11 and CL11-E complexes with 58rRNA

Published: 22 October 2021| Version 1 | DOI: 10.17632/hsg96vsxdw.1
Contributor:
Martin Lepsik

Description

PDB files with added hydrogens, counterions and waters. *Hmass.top and *2us.netcdf are AMBER PARM7 and NETCDF files, respectively, for the imaged trajectories. *20WAT* and *4MG* files select 20 closest waters and 4 closest Mg2+ to residues 5,14,28,46,60,67 in case of CL11 and 10,21,22,24,49,51,61,63,64,67 in case of CL11-E. DX files are volumetric occupancies by VOLMAP.

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Institutions

Ustav organicke chemie a biochemie Akademie ved Ceske republiky

Categories

Molecular Dynamics

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