Molecular docking using autodock 4
Dear Dr Shadreen Fairuz
Please kindly go through this page, hope it can help you.
https://www.researchgate.net/post/How_to_avoid_this_Autodock_Error
Hi,
convert your ligand to .PBDQT using OpenBabel. Sometimes the python script in ADT cannot cope with some specific bonds.
Every time I store my resolving buffer at 4 degree, the next day a crystallized like substances will appear at the bottom of the bottle. Why is it happening? is it because of pH? I already...
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during boiling process, the extract already become too saturated and difficult to be filtrated. hence, i skip the filtrating and concentrating steps and proceed with the freeze drying step. is...
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How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.
16 June 2021 0 0 View
I have tried to download the 64-bit version of MGLtools however, as many times as I have downloaded and uninstall the programs, an error arises that the app needs to be updated. Thank you.
03 March 2021 5,997 2 View
Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...
03 March 2021 5,978 5 View
Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...
02 March 2021 4,569 4 View
How do I do energy minimization in lammps with NVT ensemble ? I am using the following command and it does not seem to work. It stops at extremely high energy and gives me the error zero search...
01 March 2021 2,294 3 View