More and more friends ask me how to carry out covalent docking or add metal ions in the process of molecular docking in Discovery Studio software. I know GOLD can work it, however GOLD need extra license and installation.
As far as I know, Mr Charles L. Brooks III team has published some papers to enhance the CDOCKER including covalent docking (doi 10.1007/s10822-022-00472-3), GPU Accelerating (doi 10.1021/acs.jctc.0c00145) and Flexible CDOCKER ( 10.1002/jcc.24259 & 10.1021/acs.jcim.1c01078) in recent years.
So Can you give me some information on when these features will be added to Discovery Studio, or are there in the plan?Will it release in DS2023 (maybe not) or DS2024? Thank you.
Btw, BIOVIA preprinted a paper called Predicting Antibody Developability from Sequence using Machine Learning in biorxiv, does it release protocol? I can't find any test protocol in this paper. Thank you again.
