. 2009 Mar 18;131(13):4702–4709. doi: 10.1021/ja8085643

Table 1. Description of Simulations^a.

system name	crystal structure	description	simulation time, ns	no. of atoms
N1ac	2HU4	N1-apo, closed	16	5389
N1ao	2HTY	N1-apo, open	16	5389
N1hc	2HU4	N1-holo, closed	15.9	5433
N1ho	2HU0	N1-holo, open	16	5433
N9a	2QWK	N9-apo, closed	16	5526
N9h	2QWK	N9-holo, closed	16	5568
N1-tetramer	2HU4	N1 tetramer, holo, closed	5	21732

Seven simulations of the N1 (group-1, avian) and N9 (group-2, human) neuraminidases are summarized with their system name, initial PDB structure identifier, brief description, total simulation time, and number of atoms. The system names listed here are used throughout the figures and text.

Table 1. Description of Simulationsa.

Table 1. Description of Simulations^a.