Computational chemist, University of Florence (Italy), Dept. of Chemistry, the raft is mine
Joined December 2016
- Tweets118
- Following97
- Followers111
- Likes12.9K
Piero Procacci retweeted
#OnTheCover Identification of Potential Inhibitors of the SARS-CoV-2 NSP13 Helicase via Structure-Based Ligand Design, Molecular Docking and Nonequilibrium Alchemical Simulations (ChemMedChem 10/2024) (P. Procacci et al.) @procacci61 onlinelibrary.wiley.com/doi/…
Piero Procacci retweeted
At Lidea, we are developing collaborative, cross-functional working methods and a culture of innovation that is supported by representatives from each country and department. #Insiders
Piero Procacci retweeted
We isolated and characterized a human antibody that potently neutralizes SARS-CoV-2 & SARS-CoV which entered an accelerated development path towards clinical trials. We hope it will contribute to ending the #COVID19 pandemic. 1/2
biorxiv.org/content/10.1101/…
Piero Procacci retweeted
(1/11) Our latest @samplchalenges paper is available! It presents an overview of the #SAMPL6 logP Challenge, reporting performance and lessons learned for computational predictions of octanol-water partition coefficients. doi.org/10.1007/s10822-020-0…
Piero Procacci retweeted
This is way faster turnaround for a binding free energy benchmark than we expected. Monday: Release. Wednesday: CDK2 results are back, via Twitter. Cool. #CompChem
First round of testing with @openforcefield's Parsley in our QligFEP (jcheminf.biomedcentral.com/a…) protocols. Really easy implementation, and results on a small CDK2 set from our paper within the same accuracy as CgenFF/GAFF. Can't wait to test future versions and see where it goes!
Piero Procacci retweeted
Upgrading and validation of the #AMBER force field for histidine and cysteine zinc(II)-binding residues in sites with four #protein ligands
pubs.acs.org/doi/10.1021/acs…
@marinamacchiag1 @MarcoPagliai @procacci61
#Just_accepted
