Prakash Jha

5 Questions 5 Answers 0 Followers

Questions related from Prakash Jha

How can we download the all the clean drug like compounds from Zinc12 database?

http://zinc.docking.org/subsets/drug-like When I click on sdf/mol2 format , it gives me usual.sdf.bat or usual.mol2.bat. How I will use these file to retreive the compounds????

09 April 2019 2,225 1 View

Can any body know how to use latest version of Gromacs in CDAC-BRAF server..?

How I use the installed version of Gromacs 2018 from my home directory in CDAC-BRAF server? Please help me out..

17 September 2018 9,844 1 View

MD simulation of protein-ligand complex using the Gromacs program available at The Bioinformatics Resources & Applications Facility (BRAF) at C-DAC?

I have taken The Bioinformatics Resources & Applications Facility (BRAF) at C-DAC. But donot know how to use it for MD simulation of protein-ligand complex using Gromacs program. Could...

03 May 2018 2,495 4 View

How to write His381 as H7.39?

Residue naming for docking

27 January 2017 4,326 1 View

After this command "perl inflategro.pl system.gro 4 DPPC 14 system_inflated.gro 5 area.dat" which file i used for em in membrane simulation ?

molecular dynamics

26 April 2016 775 3 View