Alisher Eshimbetov

4 Questions 7 Answers 0 Followers

Questions related from Alisher Eshimbetov

How to solve Segmentation Fault (Core Dumped) Error in GROMACS?

Dear all, I have installed GPU GROMACS 2023 on two PCs, and one is working without errors. However, the other one gives a segmentation fault (core dumped) error during the gmx run. I launched...

05 September 2024 2,159 2 View

How to prepare a topology file for a metal-containing ligand?

How to prepare topology file for coordination (complex) compounds. Topology files for organic ligand molecules can be obtained using online servers such as SwissParam and etc. How to prepare a...

27 February 2023 4,010 1 View

In which program can i visualize 2D Plot Protein-Ligand Interactions for coordination compound or co-crystals?

I obtained protein-ligand complex using AutoDock and i would like to visualize 2D Plot Protein-Ligand (coordination compound, co-crystals) Interactions for the complex. But, only one part of...

15 February 2023 8,735 0 View

Does anybody have any experience about the correlation Log(1 / C) (In vitro) and the binding energy derived by a docking programs? Thanks in advance.

I have 55 compounds that have certain values of IC 50 (In vitro), converted to log(1 /C). I tried to correlate these data with the binding energies obtained using some docking programs. However,...

23 February 2016 6,704 3 View