Hi all, I am trying to find the experimental free energy estimated from Ki values / IC50 values and Kd values of a given protein …

Regard virtual screening. After docking, the results will show a list of ligands with their binding energy or binding affinity. A **general statement** usually stated …

Is **energy minimization** of a ligand and a protein compulsory before performing in silico protein-ligand docking? (I use AutoDock Vina for docking) If yes, Why …

<p>Hi, anybody here has used Firedock ?.. I wonder to ask whether this server can use for protein-ligand docking...</p>

<p>Actually I would like to perform protein-ligand docking. But I have no idea how to get a required ligand. The protein structure that I have …

<p>Hi,</p> <p>I'm new in Computational Biology area. Currently I'm working out on predicting the 3D structure of my target protein. For the info, I have …

<p>Hi. Im Beginner in Bioinformatics. Need an opinion from Professional. I was about to model a 3D structure of hypothetical protein for my MSc study. …

<p>Energy minimization prior to docking any small molecules is must. Most of the database does not contain the ideal coordinates of the small molecules thus …

<p>my protein is glycosylated at 2 residues. I want to include the glycosylation during docking since the ligand (Peptide) binds to the glycosylated protein more …

<p>Dear all,</p> <p>Am using autodock 4.2, after docking my compound structures looks different in complex (protein -ligand). I want to know why my compounds looks …