Upon visualizing structure of a ligand in pymol (the structure I got from RCSB PDB (RCSB.org), I noticed that it is a bit different from the one I obtained from MOE. Why does this happen?
Each software has a specific way of reading the .pdb file...
Est-il possible de mesurer la relation entre deux variables du point de vue des enseignants (par exemple) en utilisant le coefficient de corrélation de Pearson ? هل يمكن قياس العلاقة بين متغيرين...
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Green synthesis of nanoparticles
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about polymer chemistry
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My CONTCAR file in vasp is coming out to be 0kb, can someome please guide how what I am doing wrong?? my script #PBS -N 0ps #PBS -l nodes=1:ppn=24 #PBS -l walltime=30000:00:00 #PBS -q...
13 May 2023 7,582 5 View
The script I am using is following #PBS -N 0ps #PBS -l nodes=1:ppn=24 #PBS -l walltime=30000:00:00 #PBS -q batch #PBS -V #PBS -S /bin/bash...
13 May 2023 1,478 1 View
I am a searcher in physics. I have done Boltztrap calculations and I want to know the signifacation of: ( s/t, R_H , kappa0, c , chi ) existing in the .trace file. I hope you can help me Thanks...
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Hi everyone, I am using wien2k to calculte material properties. My quetion concern band calculation. In fact, How to choose K path or high symmetry points? Is there a unique choice for each space...
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Hi, I've been conducting an experiment regarding the antimicrobial activity of my soil bacteria against MDR strains using well diffusion method. I'm performing the experiment using bacterial broth...
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Please help me find the appropriate sampling technique name. It is a pure qualitative study which aims to explore the perspectives of school leaders and Social Studies teachers with the help of...
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Antihistamines block the actions of histamine and also have effects on inflammation which is independent of histamine-H(1)-receptor antagonism. Many physicians prescribe antihistamines for asthma...
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I have protein-membrane simulations (PDB, PSF, DCD) and have noticed that water molecules near the protein are not visible in the simulations. How can I fix this issue? Is there a way to place the...
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I need to know the approximate size of my target protein for Negative-stain EM. I have an alpha-fold predicted structure of the protein. I do not see any turtorial on internet for estimating the...
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Hello everyone, I am currently working on a project where I aim to analyze color preferences in data visualizations across participants from three different countries. The dependent variable in...
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Hi! I am currently working on a protein where I have selected residues within 10A of its bound ligand in pymol. However, I can not find a way to print out what residues are contained in that group...
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Hello! everyone, I am trying to study in silico Protein-Protein and Protein-RNA interactions. Now, is there any tool with which I can identify the interacting amino acid residues or the...
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Dear All, I have a PDB structure for a complex and large polymer. I need to perform MD simulations using the OPLS-AA force field. I obtained the force field parameters from LigParGen and created...
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I am carrying out an experiment on Trichoderma and need to measure OD of the fungal growth after 7 days. Unlike bacteria, fungus clump together making It difficult to get OD for the fungal growth....
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To elaborate on my question: When implementing offloading techniques in mobile edge computing using simulators like OMNET++, how can I complete the experiment with results and visualizations? I...
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I'm trying the edit the orientation of some side chains in a homology protein model I made. Can I use PyMOL for such tasks? If so, could anyone navigate me to some online tutorials? If not, what...
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Hello everyone, I have been trying to understand the concept of performing docking for repurposing studies. I've watched a couple of tutorial videos about docking with Pyrx, but at some points, I...
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