Hi.
I docked selenium-containing compounds, but it doesn't give me the output. How should these compounds be docked with the Schrödinger11.5 software?
I wan to fix the scaffold seeded with cells to evaluate myelination.
23 October 2017 9,216 2 View
In NLC system in which temperature this system would release its contents?
22 January 2016 2,159 1 View
I have a protein-ligand docking project. The ligand contains boron atoms that are not detected by Autodock software. To solve this problem, it is necessary to introduce the boron atom to...
19 February 2021 1,236 1 View
I am new to Docking and MD, and currently try to catch on it. I try one of the webserver for docking, but unfortunately not working. it says " Your PDB contains multiple forms of the same residue...
08 February 2021 7,426 3 View
I used autodock to complete the docking between the ligand and the protein. I have a question, why the dimension of the result after docking is much smaller than the dimension of the protein...
24 January 2021 7,363 3 View
Hi. I'm using the PyRx version 0.8 and getting the error message: WARNING: Filename mismatch: "2DFN_ADP_CL.maps.fld" :: "..\2DFN_ADP_CL.maps.fld" C:\Program Files (x86)\The Scripps Research...
17 January 2021 843 3 View
Hello everyone, I would like to get help about finding any server or application which can give me info about free energy and dissociation constant of protein-protein docking outputs. I have...
15 January 2021 587 3 View
I have been using PyRx to dock peptides to a protein. Initially the numbers were small so it was okay. But now I have to dock over 500 peptides and doing so manually would take forever. My...
10 January 2021 3,330 4 View
I have used Autodock 4.2 for docking studies and trying haddock for DNA-Ligand docking. It shows an error and not supported DNA PDB file. Suggest a template for DNA and ligand PDB file and also...
29 December 2020 1,322 8 View
I am interested in docking studies and want to work in that field looking for someone who can help and will guide.
22 December 2020 1,575 2 View
Hi all, There are two big questions here. I am extremely grateful for even the smallest contribution that yields a result. This is concerning Raccoon(1) original, not Raccoon2. The original...
17 December 2020 4,302 2 View
I have to perform PCA as a part of my results and analysis of protein-ligand complex docking using GROMACS 2018.8. How shall I perform PCA and interpret the results for the same? Any insights...
13 December 2020 3,121 2 View