14 Questions 26 Answers 0 Followers
Questions related from Shefin Basheera
I wish to know more on this. Any help or suggestion are highly appreciated. Is there any technique to find it out? Being new in this field.
20 June 2024 3,876 4 View
I have completed the md simulation of protein ligand complex using Gromacs I am a newbie to gromacs .. Linux, but executed successfully. I would be grateful if someone could help me out. Thank...
22 March 2022 776 6 View
I successfully generated the complex.gro file, then created the box the solvated as well. but when i used grompp to assemble a .tpr file, using .mdp file. i met with error. I have attached the...
10 December 2021 1,309 9 View
In Ligand topology generation, I am unable to save .str file generated through cgenff webserver. I could save it in .txt format only.
26 October 2021 3,931 6 View
I have downloaded the IBS natural product from ZINC database. Is there any way to get the names of that ZINC Ids, other than searching one by one. Thank you in advance.
24 December 2020 2,873 0 View
I invite possible suggestions for isolating a compound (from plant) without having a standard. I have the NMR spectrum of the compound but standard unavailable. Is it possible with a preparative...
03 March 2020 3,519 3 View
But it is not getting opened correctly. Instead whereever I try, msg "Your browser is completely ignoring applet"
20 December 2018 2,169 0 View
Can somebody tell me the rules or checkpoints while selecting drug targets (from Mycobacterium tuberculosis H37Rv)for in silico Structure Based Drug Discovery study?
26 December 2015 4,722 5 View
Are all phthalate derivatives obtained from GC-MS analysis of plant extracts are products of GC column products
01 January 1970 730 18 View
May I know the upcoming international conferences/symposiums happening in USA in the field of Lifescience/ Nutraceuticals / Biotechnology/Computer aided drug discovery Thank you
01 January 1970 6,487 7 View
Can someone list out the available natural product databases.
01 January 1970 5,342 6 View
Hi all.. I am doing the in silico and in vitro anti-tuberculosis screening. Any one engaged in finding anti-tuberculosis compounds or related screening work. Hope someone engaged in the area can...
01 January 1970 2,688 8 View
How to find modulators for a protein ligand complex...?
01 January 1970 2,431 3 View
Dear experts I would like to initiate a technical discussion regarding GPU acceleration in GROMACS, particularly for energy minimization (EM) steps. My current system involves a large protein...
01 January 1970 5,628 1 View
