I need fucose containing glycans as ligands for docking purpose. I have already searched in PubChem and other chemical database. Would you suggest me any database for glycans.
Dear all. By sequencing two libraries, I have data on differentially expressed miRNAs and piRNAs, both in exosome vesicles and of endogenous origin in glial …
Hi there, I searched on the net for any packages in R that would help me perform molecular docking specifically small molecule -protein docking, however, …
I have downloaded the file "protein chemical.links.v4.0.tsv.gz" from STITCH 4.0. From the database, the chemical identifiers are described as below: **Chemical identifiers are of the …
I tried to optimize ligands using prodrg. after the completion of energy minimization, I chose DRGFIN.PDB file of ligand, as its having all hydrogens added. …
Our database team (http://www.guidetopharmacology.org/) would like to set up some kind of allerting triage for the following criteria for human proteins a) novel ligands in …
<p>Current Virtual Screening methods (Docking, Pharmacophore, etc) can screen a large database of chemical compounds and rank them according to some computed score value. Usually …
<p>We want to measure the selectivity of some docking program recently (supposed to have been) improved. It can reproduce rather well binding modes for most …