How can I download ligands in Mol2 file format ?

Asra’a Adnan Abdull-Jalil @Asraa-Abdull-Jalil

29 August 2022 0 5K Report

previously I used the zinc database and DrugBank for this purpose but today appears this property was canceled.

Badges
Science topic

More Asra’a Adnan Abdull-Jalil's questions See All

How to find Color information in a trained CNN model?

I would like to interpret a trained model for an image recognition system and understand which part of the feature vector(the last layer that I am using for cosine similarity or matching with...

01 January 2024 149 1 View

What is the anisotropy of permeability compacted clay?

Ratio of horizontal to vertical permeability of compacted clay.

10 September 2023 4,347 0 View

What're the physiological indications through which I can study the effectiveness of using the immunotherapy in the patients with lung cancer?

I mean, which physiological or immunological parameters/markers that I need to study to know the effect of using immunotherapy in the patients with lung cancer? Any suggestion for research would...

02 August 2023 4,079 3 View

What does it mean if the status date changes while the status remains with editor?

09 January 2023 8,182 2 View

Monte Carlo vs Molecular dynamics?

Hi, Imagine that you are going to sample a protein conformation (consists of N atoms) using Monte Carlo and Molecular Dynamics simulations, independently. For the MD simulation, the phase space...

06 December 2022 318 6 View

Is it possible to say that each people has its own music?

Do you think that all the peoples of the world have their own music, or is most of it a tradition, and how do we prove that?

26 June 2022 6,865 9 View

FES diagram for Metadynamics simulation with 3 CVs?

Hi all, What is the best way to draw a FES diagram for a metadynamics simulation with 3 CVs? I know that it is still possible to draw 2D FES diagram with two CVs and project the Free energy...

11 December 2021 908 4 View

Antimicrobial of AgNPs?

hi.. if i mix AgNPs powder in D.W and then pour 20 ul of this mixture on each filter disk 6mm ? what is the best technique you recomended?

21 October 2021 4,125 3 View

What is the minimum criteria of determination of Multiple Antibiotic Resistance Index (MARI)?

We are working on the antibiotic resistance profiling of E. coli isolates from poultry environment. We wanted to calculate the resistance index that is simple but what is confusing is that we...

03 September 2021 8,210 3 View

Can anyone recommend me a site or book to use Ecological Methodology software?

How to use this software?

01 July 2021 3,453 4 View

How do I replace a file with a more recent version of a paper that was uploaded to ResearchGate?

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

How to solve g_mmpbsa error?

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

How do you delete a duplicate pdf for the same paper on ResearchGate?

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

AUX gas reading problem on QE with full MS and PRM method in one run?

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

JCPDS 65-7246 file please?

Dear Researchers Kindly share JCPDS 65-7246 file Thanks in advance

04 August 2024 5,613 1 View

Dirty and clean?

Hi everyone I need a file with a dirty and clean potato image

04 August 2024 7,199 4 View

How to change the version of the article full-text pdf file?

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?

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

How to do pca analysis of c-alpha atom of the protein?

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 1,607 1 View

CAD File of human's & rat's respiratory airways ?

Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...

29 July 2024 1,092 2 View