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Questions related from Vasyl Hurmach
Hi all! Can anybody suggest me any software tool for visualization; (1) protein movement and (2) pore of ion channel ? I would be very grateful for that.
03 March 2018 9,964 0 View
HelloI want to model interaction between C60 and few some chemical compounds in a box with water. Can anybody suggest me any software tool (except gromacs) for such kind of work ? I would be very...
08 August 2015 7,478 5 View
Hello all. When i did ligand topology files by using acpype in few cases a got error, below. /home/work/fast/VV/gromacs/acpype/acpype.py -i...
11 November 2014 6,545 1 View
Hello all Now, I normally can do protein-ligand md in gromacs. But in few cases when I did command: pdb2gmx -ff amber99sb -f ProteinAmber.pdb -o Protein2.pdb -p Protein.top -water spce -ignh I got...
11 November 2014 7,093 13 View
Hello all I have to do Protein - Ligand MD simulation.Thus I am doing tutorialfor Protein - Ligand...
10 October 2014 1,912 12 View
I've worked for more than one year on the calculation part of my phd work. The theme of my work is ''Searching of low molecular ligands for SH2 domains". I've already finished the whole...
04 April 2014 5,165 1 View
I need make all possible isomers and tautomers for a chemical library (about 10 000 compounds). But, I have never done such work. That is why, I don't know which software package is better to use.
12 December 2013 8,283 22 View
I created a big chemical database (using flexible docking, pharmacophore modeling methods) of potentially active compounds. Now I have a library involving 10,000 compounds. I want to recognize...
11 November 2013 8,079 4 View
