prescient-design/StrainRelief: calculate the ligand strain of uncharged docked poses with different force fields #molecularmodeling #ligand #strain #energy #conformation #rdkit #strainrelief

New code for evaluating ligand strain calculation #molecularmodeling #ligand #strain #energy #conformation #rdkit #strainrelief

New code for evaluating ligand strain calculation #RDKit #StrainRelief #Cheminfo Japanese summer is very hot and humid most days. It's not so good for running.It's important to stay hydrated. I'm keeping my lunch time 5km Running when I work from home. I could have time to read scientific articles in this weekend fortunately and found interesting article in Arxiv. I would like to share the nice research. And the article published from JCIM recently.

New code for evaluating ligand strain calculation #RDKit #StrainRelief #Cheminfo

Japanese summer is very hot and humid most days. It's not so good for running.It's important to stay hydrated. I'm keeping my lunch time 5km Running when I work from home. I could have time to read scientific articles…