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

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

Hi everybody, I need to calculate the absolute free binding energy for binding a ligand to a protein. I am looking for a step-by-step tutorial in Gromacs. Before working with Gromacs, I had a try...

11 January 2024 6,354 2 View

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

Hi everybody Previously, I performed virtual screening by using a webserver that had a database of molecules and an algorithm for searching them and now I want to use a free software. Where can I...

06 July 2022 6,184 4 View

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...

28 June 2022 580 6 View

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(...

01 May 2021 1,438 4 View

Why in copolymerization of acrylamide with AMPS, the product is insoluble after drying inthe vacuum oven?

I co-polymerize acrylamide(AM) with 2-acrylamido-2- methyl propane sulfonic acid (AMPS) via solution polymerization. I add hydroquinone at the end of the polymerization for termination. The...

26 March 2021 5,390 6 View

How to convert a privately loaded document into a public document?

I attempted to make a privately uploaded text public but a window appeared that said an error occurred. There was no explanation provided as to why there was an error or what might be done to...

05 August 2024 8,025 7 View

How to Add Missing Water Molecules in Protein-Membrane Simulations?

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

Are the apoptotic cells is positive for γH2AX ?

It has been documented that apoptotic cells themselves can induce phosphorylation of serine 139 on H2AX (γH2AX) due to DNA fragmentation during apoptosis (doi: 10.1074/jbc.275.13.9390). As γH2AX...

28 July 2024 7,983 2 View

How does the digestate compare to other organic amendments regarding quality and performance in different countries?

Experts are welcome to share their experience country-wise so that we can make a nice document listing all the country-wise experiences. ? How does the digestate compare to other organic...

18 July 2024 5,225 3 View

Comment publier un travail sur la plateforme ?

Publier des documents scientifiques

26 June 2024 7,343 1 View

Can anyone share the CLSI M26-A document?

I'm a newbie to time-kill test, and tbh I've read every article about synergy between two or more drugs together but I'm still unable to grasp the nature and the standard protocol of a time-kill...

25 June 2024 7,392 0 View

How can I calculate accurate brick-joint interface stiffness for masonry in DIANA FEA?

Greetings everyone. To define the interface between mortar and brick during the modeling of masonry, I need normal and shear stiffness (Kn and Kt). I have tried some relationships found in the...

23 June 2024 6,015 0 View

Can you recommend me a methodology for a research paper on Nature-Based Tourism, specifically focusing on Natural Parks?

I am analyzing nature-based tourism in Mavrovo and Šar Mountain National Parks in North Macedonia. My focus is on documenting key natural sites, and tourist activities. Using available data, I aim...

18 June 2024 8,702 4 View

What possible issue am I facing in this Alchemical FEP calculations using NAMD?

I am trying to run my tcl script for NAMD. Running separate MD simulation for each forward and backward runs. Forward run is fine however backward.inp abruptly terminates showing output only till...

17 June 2024 861 1 View

Hi guys. I am new on ResearchGate. I am wondering if there are templates for journals and other documents?

I am trying to access standard templates that I can use for my contributions so that my contributions are standardised inline with the ResearchGate platform.

16 June 2024 182 2 View