How to get PDB Structure of newly synthesized chemical compound???
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02 March 2016 9,395 0 View
Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...
02 March 2021 4,569 4 View
It is oftentimes said to be a distinctive metallographic trait that differentiates a fully austenitic and a fully felly ferritic steel without etching that might distinguish between two. Why...
02 March 2021 728 2 View
Hi all, I need to cleave the ester in Ethyl 2-amino-1H-imidazole-5-carboxylate to make the carboxylic acid and retrieve the product from solution to use in downstream applications of linking to...
01 March 2021 8,766 3 View
I have used the i-Tasser several times, however it has been unavailable for several days. I tried the swiss-model, but the output was not very pleasant due to the model used. Is there any other...
28 February 2021 4,521 3 View
Hi, I am a third year chemistry undergrad doing my group project in which I need to predict the HPLC retention time of 20 aromatic molecules. to do this we require the chemical properties of these...
24 February 2021 1,384 3 View
I am using the crystallographic open database and materials project to search for cif file but the exact structure is not mentioned or how can I deduce that the given structure and atomic position...
23 February 2021 6,723 2 View
How to build fluid structure interaction simulation for elastic ring squeeze film damper in COMSOL?
22 February 2021 5,408 1 View
I need to carry out molecular dynamics simulation on Aluminium alloy. For this i need the crystal structure that which could be further replicated to form a structure.
22 February 2021 1,410 1 View
Hello, I was wondering the best way to build an orthogonal box filled with a defined crystal structure in ASE. I know it could be easily done in LAMMPS, but I guess it is also doable in ASE. The...
21 February 2021 5,899 4 View
Basically, I would like to know how to treat or coat on the uncoated bare TiO2 (Ti-OH rich) surface with polymer which has anchoring groups in the polymer structure like trimethoxygroups. What is...
21 February 2021 4,657 6 View
