How to find active site of a protein?

14 May 2020 0 8K Report

I have a malarial protein as target of which i need to find active sites

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Why does my protein refolded to beta sheet during thermal denaturation analysis?

Hi! So i attempted to understand a novel protein behavior towards heat application by analyzing its secondary structure change. I subjected the protein to a thermal denaturation analysis using...

06 August 2024 1,989 3 View

Is it possible to dock more than one drug in the same active site or pocket of a protein to study synergistic/antagonistic/additive properties?

I wanted to know whether we can observe the synergistic/antagonistic/additive properties of combinations or mixtures of compounds through docking analysis. But during docking preparation any...

28 July 2024 7,413 6 View

Metallic system in quantum espresso with no smearing. Is this possible?

Hi! I'm simulating a specific material on Quantum Espresso, and I found something strange. Initially I've performed simulations on FCC InAs crystal and I used the Hubbard correction to reproduce...

02 July 2024 9,323 1 View

How to find the incident spectra in Lumerical FDTD?

Hello, I am having a difficult time finding the incident plane wave wavelength dependent spectra of the lights source to find the EQE. Please advise.

26 June 2024 7,274 1 View

Can EBSD distinguish BCT martensite from BCC ferrite? Both have different symmetries, space groups but same lattice positions??

Electron back scattered diffraction is a versatile tool for micro-structure and micro-texture analysis of a variety of materials e.g., metals/alloys, rocks, meteorites etc., EBSD completely works...

18 June 2024 1,477 5 View

How to create ITO materials in FDTD?

Here are the ITO material parameters and the Drude model I found in an article, but I don't know how to import these parameters correctly into Ansys lumerical FDTD.The attached picture shows the...

18 June 2024 3,182 10 View

How to create ITO materials in FDTD?

12 June 2024 5,915 2 View

What are the types of Raney Nickel?

I'm interested in Raney Nickel and its composition. While it's usually a Nickel-Aluminum (Ni-Al) alloy, I recently saw an article mentioning Ni-Zn and Ni-Sn as Raney Nickel too. #RaneyNickel...

11 June 2024 355 2 View

How to calculate surface plasmon excitation efficiency by FDTD method?

02 May 2024 6,940 2 View

Did Anyone mode 2 Stage FCC Regenrator?

Hello, I was wondering if any modelled 2 stage FCC regenerator and happy to share the model to me.

02 May 2024 490 0 View