Is it suitable to use a density-based solver to solve supercritical CO2 laminar flow?

We have been numerically investigating the thermal-fluid characteristic of sCO2 laminar flowing in a 0.5 mm diameter circular microtube in upward direction. Depending on sharp density change along...

29 June 2020 5,199 2 View

What is your pump manufacturer recommendations, ensuring low flow rate and high operating pressure?

We have recently designed an experimental setup to investigate the detailed thermofluidic mechanism of near-critical CO2. We need to pump, ensuring low flow rate, high operating pressure and also...

22 July 2018 3,359 3 View

What is the precautions to avoid the negative effects of hydrogen sulphide on heat exchanger copper fin?

23 August 2015 2,445 3 View

How can I calculate enthalpy uncertainty value which is necessary for laboratory refrigerant side capacity?

27 April 2015 8,148 8 View

Does anyone know NIST Evap-Cond V.3.0 circuity design program?

13 November 2014 4,994 0 View

What are the potential shell well and atomic solvation parameters for the boron atom?

I have a protein-ligand docking project. The ligand contains boron atoms that are not detected by Autodock software. To solve this problem, it is necessary to introduce the boron atom to...

19 February 2021 1,236 1 View

How to Remove different version of atom from pdb Crystal Structure for Docking Preparation?

I am new to Docking and MD, and currently try to catch on it. I try one of the webserver for docking, but unfortunately not working. it says " Your PDB contains multiple forms of the same residue...

08 February 2021 7,426 3 View

The dimensionality of protein and ligand is reduced after docking?

I used autodock to complete the docking between the ligand and the protein. I have a question, why the dimension of the result after docking is much smaller than the dimension of the protein...

24 January 2021 7,363 3 View

How to generate .dlg files on PyRx?

Hi. I'm using the PyRx version 0.8 and getting the error message: WARNING: Filename mismatch: "2DFN_ADP_CL.maps.fld" :: "..\2DFN_ADP_CL.maps.fld" C:\Program Files (x86)\The Scripps Research...

17 January 2021 843 3 View

Servers for finding free energy and dissociation constant of protein-protein docked complex?

Hello everyone, I would like to get help about finding any server or application which can give me info about free energy and dissociation constant of protein-protein docking outputs. I have...

15 January 2021 587 3 View

What would be the best option to dock a number of peptides to a protein?

I have been using PyRx to dock peptides to a protein. Initially the numbers were small so it was okay. But now I have to dock over 500 peptides and doing so manually would take forever. My...

10 January 2021 3,330 4 View

Is there any online webserver for DNA-ligand docking?

I have used Autodock 4.2 for docking studies and trying haddock for DNA-Ligand docking. It shows an error and not supported DNA PDB file. Suggest a template for DNA and ligand PDB file and also...

29 December 2020 1,322 8 View

I am looking to learn docking studies online can any one help?

I am interested in docking studies and want to work in that field looking for someone who can help and will guide.

22 December 2020 1,575 2 View

How to specify binding sites in AutoDock Raccoon?

Hi all, There are two big questions here. I am extremely grateful for even the smallest contribution that yields a result. This is concerning Raccoon(1) original, not Raccoon2. The original...

17 December 2020 4,302 2 View

How Shall I perform Principle Component Analysis in GROMACS?

I have to perform PCA as a part of my results and analysis of protein-ligand complex docking using GROMACS 2018.8. How shall I perform PCA and interpret the results for the same? Any insights...

13 December 2020 3,121 2 View