How can I prepare the protein-ligand file as one pdb file from the dlg file in Autodock so that it can be viewed in Ligplot?

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How can I install Gromacs in Windows 7?

I have installed Gromacs. I have Cygwin and Cmake. How can I install FFTW? How can I also install Gromacs in Windows 7 32bit? I dont know what to do. Can anyone give me a step-by-step sample...

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GC-MS retention index prediticon?

Hello experts, Does anyone know any free software about retention index prediction ?

08 August 2024 7,403 2 View

Are there instances where molecules with larger molecular weights exhibit greater mobility than those with smaller molecular weights?

Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...

06 August 2024 1,495 2 View

For an in-vitro drug release study, what molecular weight cut-off (MWCO) dialysis bag is required for a 117 kDa protein?

kindly reply me. Thanking you in advance.

05 August 2024 7,727 4 View

How to start a Molecular Dynamics Simulation?

Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...

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Which will be the best software for the Hydration shell analysis with molecular dynamics?

I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?

02 August 2024 3,143 4 View

Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,704 7 View

Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out?

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31 July 2024 781 1 View

How to add Cr parameter in autodock?

When I run autogrid4 it says: autogrid4: ERROR: Unknown receptor type: "Cr" -- Add parameters for it to the parameter library first! Look forward to your reply.Thank you so much!

29 July 2024 488 0 View

CAD File of human's & rat's respiratory airways ?

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How to restart MD without using checkpint file in GROMACS?

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Nesteve John Agosto

Thanks Karthik Dhananjayan. How can I view the Hydrogen Bonds with distances?

Hi Hasthi Annapurna. I am using windows not linux.

Hello Karthik Dhananjayan. Do you know how to dock small molecules to DNA?

Can you give me a step-by-step tutorial?

I want to dock Daunorubicin to DNA.

Ok. I will wait for your updates. Thank you.

Jayan jk

How can I dock a protein with another protein ligand(immunophilin drug complex) drug complex.Which software is suitable for docking.

Samarendra Narayanan

Hex is suitable for protein:protein docking.

But how big are your proteins?

Hope this helps.