How to get PDB Structure of newly synthesized chemical compound???
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02 March 2016 9,481 0 View
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...
04 August 2024 1,200 2 View
I want to do 2,3-butanediol dehydrogenase(BDH) enzyme purification to confirm its activity for 2,3-butanediol. Before that, I need to confirm which N or C terminal tagging is better for enzyme...
28 July 2024 366 3 View
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...
21 July 2024 5,732 3 View
I have conducted virtual screening using Schrödinger on a database of 17,000 molecules. Unfortunately, I cannot use the system with the Schrödinger license at the moment. I am trying to find a way...
18 July 2024 2,881 4 View
I do not know much about FTIR! The material Benzethonium Chloride USP was compared to a reference standard in regards to FTIR, as per the USP testing: Identification B. Infrared absorption (FTIR),...
16 July 2024 6,918 7 View
I want to make this type of structure. Can anybody recommend the application for this?
15 July 2024 5,864 2 View
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...
11 July 2024 5,109 0 View
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....
11 July 2024 6,251 1 View
Long story short, the VASP manual delineates that the metal-GGA could be utilized for hybrid functional with appropriate Fock operator using AEXX tag. However, there are no explicit notifications...
07 July 2024 2,713 3 View
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...
29 June 2024 860 3 View
