Force field parameter sets for 16 tetrahydroquinoline ligands
Publication Date
March 8, 2022
Description
Force field parameter sets for free energy perturbation calculations of tetrahydroquinolines complexed to the first bromodomain of BRD4.
Subjects (LCSH)
Subjects
Subjects (JACS)
Subjects (LC)
Divisions
University of Nottingham, UK Campus::Faculty of Science::School of Chemistry
Corporate collaborators
GlaxoSmithKline R&D Pharmaceuticals
Data type
Parameter sets
Funders
PRACE
Grant Number
EP/S035990/1
EP/R512059/1
EP/R029407/1
#2020235572
Data collection method
Acpype and Cgenff software
Resource languages
en_US
English
Publisher
The University of Nottingham
Date Issued
March 8, 2022
Except where otherwise noted, this item's license is described as
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Name
FEP_L1-16_parameter_sets.zip
Size
226.99 KB
Format
Unknown
Checksum (MD5)
627239324f5f81c17c3be58fa27a6e8d