[AMBER] case studies of MD based drug discovery

From: Vaibhav Dixit <vaibhavadixit.gmail.com>
Date: Sun, 21 Feb 2021 18:35:28 +0530

Dear All,
After browsing through some papers (links below), I get the feeling that
lead optimization work might already be actively pursued by many MD+pharma
experts.
But these papers (by Amber group and others) seem to discuss only
retrospective studies besides the basics.
Thus just wondering if someone on the list is aware of any case studies
where MD based methods played a significant role in identifying a compound
that at least underwent clinical trials for drug discovery/development.
Or is it still a promise waiting to be delivered?
I'm sure that the efforts of the experts here and elsewhere will make it a
reality sometime soon. :)

https://pubs.acs.org/doi/10.1021/acs.jcim.0c00613
https://pubs.acs.org/doi/10.1021/acs.jmedchem.5b01684

Thank you.

-- 
Regards,
Dr. Vaibhav A. Dixit,
Assistant Professor,
Department of Pharmacy,
▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄
Birla Institute of Technology and Sciences Pilani (BITS-Pilani),
VidyaVihar Campus, street number 41, Pilani, Rajasthan 333031.
India.
Phone No. +91 1596 255652, Mob. No. +91-7709129400,
Email: vaibhav.dixit.pilani.bits-pilani.ac.in, vaibhavadixit.gmail.com
http://www.bits-pilani.ac.in/pilani/vaibhavdixit/profile
https://www.linkedin.com/in/vaibhav-dixit-b1a07a39/
ORCID ID: https://orcid.org/0000-0003-4015-2941
http://scholar.google.co.in/citations?user=X876BKcAAAAJ&hl=en&oi=sra
P Please consider the environment before printing this e-mail
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Sun Feb 21 2021 - 05:30:10 PST