Published November 15, 2021
| Version v1
Dataset
Open
AutoDock and CB-Dock data for (NPA)6Zn3(H2O)2 in Synthesis, structural analysis, and docking studies with SARS-CoV-2 of a trinuclear zinc complex with N-phenylanthranilic acid ligands
- 1. University of Yaoundé I
- 2. California State Polytechnic University, Pomona
Description
AutoDock 4.2 and CB-Dock data for (NPA)6Zn3(H2O)2 with Mpro from SARS-CoV-2 from PDB Id: 6LU7.
Files
config.txt
Files
(703.4 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:a0a3edd0ace793f2d107651e0e77e607
|
234.0 kB | Download |
|
md5:93e6f192bc28252bfe676e2d8a13f0bb
|
372.5 kB | Download |
|
md5:bdcfa548f6ccc3cb950842618925d808
|
193 Bytes | Preview Download |
|
md5:2d8972244620f7acd74dce99ab865f6d
|
1.7 kB | Preview Download |
|
md5:c5ab29c16a71fa47cf0d9757266faa07
|
95.0 kB | Download |
Additional details
Related works
- Is published in
- Journal article: 10.1107/S205322962200239X (DOI)
Funding
- U.S. National Science Foundation
- CAREER: Quantifying Nitrogen-Oxide (NO) Activation and Coordination Modes through Synthesis, Spectroscopy and Computations 1847926