#####################################################
#   Dataset for                                     #
#  'SODIUM BINDING SITES AND PERMEATION MECHANISM   #
#   IN THE NACHBAC CHANNEL: A MOLECULAR DYNAMICS    #
#   STUDY'                                          #
#                                                   #
#   C.GUARDIANI,P.M.RODGER,I.A.KHOVANOV             #
#                                                   #
#  J. CHEM. THEORY COMPUT. JUST ACCEPTED            #
#  DOI 10.1021/ACS.JCTC6B01035                      #
#                                                   #
#  University of Warwick, UK                        #
#  13 January 2017                                  #
#                                                   #
#  1 data file in pdb format                        #
#####################################################


Note that details of computations are described in the manuscript and SI,
and they both are freely available from http://pubs.acs.org/doi/10.1021/acs.jctc.6b01035

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NaChBac_Homology_Model_C-Guardiani_et-al.pdb

contains 
Homology model of NaChBac channel pore domain

SOURCE BACILLUS HALODURANS
TEMPLATE: NAVMS CHANNEL (PDB ID: 4F4L)
SOFTWARE: MODELLER 9.15
HOMOTETRAMERIC CHANNEL
EACH SUBUNIT COMPRIZES HELICES S5 AND S6
AND THE INTERVENING P-LOOP