What is the use of energy range in the config file in autodock vina? What is the normal values?
At the least, its value is negative. If you want to choose candidate compound from virtual screening results, you can refer to part 4.1 of MolAICal tutorial: https://molaical.github.io/tutorial.html
I want to make schiff base from amino acid and aldehyde but I am not getting any precipitation. I tried using methanol and ethanol as solvent and adding KOH to dissolve the amino acid in the...
19 December 2023 9,627 8 View
What is the best way for High performance liquid chromatography of chlorophyll? What will be the best solvent concentration?
05 October 2023 9,863 2 View
Is 10 mg/mL a reasonable stock solution to start with for 0.1-0.5 mg/mL concentrations?
29 July 2023 7,248 5 View
for example, the needed dose is 400ug/mL, how will I turn my crude extract into 400 ug/mL? p.s my research is about a-glucosidase activity
12 June 2023 9,445 3 View
I have been trying to amplify NEB 5-alpha F'Iq Competent E. coli for my phage display library and therefore need a high transformation efficiency. The commercial product has a TE of 10^9, but I...
06 January 2023 6,359 4 View
I have done a 50 nano second protein simulation using Gromacs and obtained an RMSD value greater than 3 nm. is it ok to proceed with it or is the value incorrect?
26 November 2022 4,865 2 View
I have ran a simulation of a protein structure using Gromos force field and obtained the radius of gyration. Is it mandatory to get a linear plot? How does high or low RoG matters? What it implies...
26 November 2022 8,091 2 View
Hi. I am working with ligands containing Se and Te. It is possible to dock them using AutoDock 4.2 since i have added thwir parameters. But can i do the same with vina? Can we add additional atom...
30 December 2021 8,087 2 View
Hi. Is it mandatory to optimise our ligand before docking using Autodock or Autodock vina? I have not received the structure from any database therefore the structure was drawn using Marvin draw...
29 December 2021 5,618 3 View
Respected Sir/Madam, I am Prof. Aby John. I would like to be a part of your esteemed academic/research community as a Visiting Professor/Lecturer/Researcher/Board of Studies member. My area of...
01 January 1970 6,512 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
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 9,507 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 4,952 0 View
What is the prepared reference material that can be used in the ICPE-9820 Shimadzu Japan instrument, which employs inductively coupled plasma optical emission spectrometry (ICP-OES) to measure...
06 August 2024 1,896 1 View
Dear Researchers Kindly share JCPDS 65-7246 file Thanks in advance
04 August 2024 5,612 1 View
Hi everyone I need a file with a dirty and clean potato image
04 August 2024 7,198 4 View
How to change the displayed full article text to its corrected version? In the file on the page of the journal where I published the article, there was an error in the text, the table is...
30 July 2024 3,229 2 View
Difficulty with permittivitt and Magnetic Permeability Calculations Hello everyone, I have all the parameters related to the calculations of the permittivitty and magnetic permeability...
30 July 2024 5,206 1 View
i m interested in pca analysis of c-alpha atoms in gromacs for that i used the following gmx_mpi covar -s mdca.tpr -f mdca.xtc -o eigenvalca.xvg -v eigenvecca.trr -av average.pdb -n index.ndx but...
30 July 2024 1,606 1 View