23 July 2017 1 5K Report

I want calculate descriptors for cation and anion of ionic liquids.

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Is there step-by-step tutorial for calculating absolute free binding energy (FEP) in Gromacs?

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Where can I find a step-by-step tutorial for performing MD simulation in NAMD on windows operating system?

Hi everybody body I want to do a MD simulation in NAMD for a ligand-protein complex on windows operating system. Where can I find a video or pdf document tutorial? Thanks

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Where can I download a database of molecules for virtual screening?

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Could you introduce a free software for similarity search of a large database of molecules?

Hi everybody Previously, I used a webserver to search a database of molecules. Where can I download a free software to search a database of molecules? Thanks

06 July 2022 1,675 0 View

How can I install gaussian 09 on ubuntu?

Hi everybody I want to install Gaussian 09 on ubuntu and need a step by step guide. where can i find a step-by-step installation guide? Thank you

28 June 2022 3,037 6 View

How can i obtain and install BIOVIA Discovery Studio on ubuntu?

Hi everybody Previously, I have worked with BIOVIA Discovery Studio on windows operating system and now, I am working with ubuntu. I need BIOVIA Discovery Studio for linux and its installation...

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How MgO nanoparticles get the ability to act as a photocatalyst?

MgO has a high energy band gap (7.1 eV) and is supposed to not be capable of acting as a photocatalyst. So how does this happen??

28 October 2021 4,728 3 View

What software is suitable for proton therapy studies??

Proton therapy is used for cancer tumor treatment. What software are used and which is best?? are there any free software?

04 September 2021 2,012 7 View

How can I fix this error in written stepwise-MLR code in python?

Hi everybody I have written following stepwise-MLR code in python for selecting informative independent variables: %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% def...

06 June 2021 8,548 3 View

Is there an equivalent function for finv Matlab function in python?

Hi I am writing a python code for performing stepwise-MR algorithm for selecting informative variables. I need to calculate critical F such as following MATLAB code in python: Fcrit = finv(...

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