2024-05-30 Protein FF meeting note
Participants
@Chapin Cavender
@Michael Gilson
@Anika Friedman
@Brent Westbrook (Unlicensed)
@David Mobley
@Alexandra McIsaac
@Lily Wang
@Pavan Behara
@Jeffrey Wagner
Goals
QM parameter fits with alternate nonbonded parameters
Amber ff99 RESP charges and Lennard-Jones parameters
NAGL charges
Supplementing training dataset with PDB structures
Recording
https://drive.google.com/file/d/1BEpjW19UWwaNFWF127vb5SmIo-RYkCUl/view?usp=sharing
Discussion topics
Item | Presenter | Notes |
---|---|---|
Fits with alternate nonbonded parameters
| @Chapin Cavender |
|
Supplementing training dataset with PDB structures | @Anika Friedman |
|