I have a pdb file and want to add numbering at 24 column in every line, how to do this using command or a tool?
I have a membrane model files from a published work. I want to use that model for my research. Can anyone help me with how do I proceed with it. I have the PDB, PSF and STR files of the membrane....
28 June 2024 6,455 1 View
I have 4 replicas in my REMD simulation of a small peptide. The replicas temperature is 298, 302, 306 and 310. As I am doing REMD for the first time I have no idea on how to process these 4...
21 November 2023 4,055 0 View
I am familiar with Conventional MD Simulations using GROMACS. And I want to learn other advance MD methods. If I can get some help with Replica Exchange Molecular Dynamics (REMD/REST), How to run...
08 November 2023 5,204 0 View
I have two structures Fe2O3 and Fe3O4 nanoparticles with a diameter of 5 nm. I want to perform MD simulations on the two nanoparticles, but non of the force fields have parameters for these...
01 June 2023 7,931 1 View
Tried "gmx covar" but didn't got the expected results. Please help.
19 January 2022 8,069 6 View
A crude extract of fungal culture using EtOH was subjected to column and TLC and partially purified compound was obtained. UV vis spectrum of the compound/s has max absorbance at 218nm. The...
11 August 2024 9,801 2 View
Can anyone explain this method? Especially the last statement where it says only at 1.5 to 2.5mins was the MS/MS connected to the UPLC. How is that possible, is it a feature in this specific...
11 August 2024 8,141 3 View
I've been performing RNA extraction on cotton petiole tissue for a few months now using the method described in the following paper, a derivative of the typical hot borate method...
08 August 2024 9,882 2 View
The paper in question is "Interpolation of Nitrogen Fertilizer Use in Canada from Fertilizer Use Surveys". This paper was very recently published by Agronomy (MDPI). Agronomy has, in the last day...
07 August 2024 9,934 3 View
I'm working on selecting antibodies against a recombinant protein that has a His-tag. My idea is to first bind the recombinant protein to a HisTRAP column and then use this column for an affinity...
07 August 2024 505 3 View
Program: g_mmpbsa, version 2024.1 Source file: extrn_apbs.cxx (line 152) Fatal error: Failed to execute command: $APBS pybYcUWA.in --output-file=pybYcUW.out
07 August 2024 6,066 0 View
The first pdf file I uploaded had an error. So I uploaded an updated, corrected pdf of that paper with a different pdf name. I dpon't want the old copy to be download or read.
07 August 2024 9,508 1 View
Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...
06 August 2024 4,953 0 View
I am trying to recover liquid CO2 from a mixture of 0.6 CO2, 0.3 N2, and 0.1 O2. My aim is to recover about 99% liquid CO2 at the bottom of the column and make sure the amount of gaseous CO2...
06 August 2024 4,611 0 View
Dear Researchers Kindly share JCPDS 65-7246 file Thanks in advance
04 August 2024 5,613 1 View