Hi all! Can anybody suggest me any software tool for visualization; (1) protein movement and (2) pore of ion channel ?
I would be very grateful for that.
HelloI want to model interaction between C60 and few some chemical compounds in a box with water. Can anybody suggest me any software tool (except gromacs) for such kind of work ? I would be very...
07 August 2015 7,504 5 View
Hello all. When i did ligand topology files by using acpype in few cases a got error, below. /home/work/fast/VV/gromacs/acpype/acpype.py -i...
10 November 2014 6,562 1 View
Hello all Now, I normally can do protein-ligand md in gromacs. But in few cases when I did command: pdb2gmx -ff amber99sb -f ProteinAmber.pdb -o Protein2.pdb -p Protein.top -water spce -ignh I got...
10 November 2014 7,128 13 View
Hello all I have to do Protein - Ligand MD simulation.Thus I am doing tutorialfor Protein - Ligand...
09 October 2014 1,978 12 View
I've worked for more than one year on the calculation part of my phd work. The theme of my work is ''Searching of low molecular ligands for SH2 domains". I've already finished the whole...
03 April 2014 5,183 1 View
I need make all possible isomers and tautomers for a chemical library (about 10 000 compounds). But, I have never done such work. That is why, I don't know which software package is better to use.
11 December 2013 8,313 22 View
I created a big chemical database (using flexible docking, pharmacophore modeling methods) of potentially active compounds. Now I have a library involving 10,000 compounds. I want to recognize...
10 November 2013 8,101 4 View
I have virus (viral hemorrhagic septicemia virus) in suspension and the experiment will not involve cells. What level of TCID50 is preferred?
11 August 2024 3,115 1 View
I am developing a predictive model for a water supply network that involves 20 influencing points. However, I only have historical data for 10 out of these 20 points. I would like to know how to...
10 August 2024 4,005 2 View
Usually, additive manufacturing techniques like SEBM, SLS, and SLM are used for interconnected porous lattice structure generation with sizes of >100–200 micrometers. Can the Fused Deposition...
09 August 2024 7,892 0 View
I need to model an anisotropic material in which the Poisson's ratio ν_12 ≠ ν_21 and so on. Therefore, the elastic compliance matrix wouldn't be a symmetric one. In ANSYS APDL, for TB,ANEL...
09 August 2024 5,048 2 View
Hello experts, Does anyone know any free software about retention index prediction ?
08 August 2024 7,403 2 View
I am trying to simulate vehicular loading on an orthotopic steel deck bridge section in ABAQUS software. The red arrow mark in the attached figure indicates the direction in which the vehicle will...
08 August 2024 719 0 View
Dear fellow researchers, I am currently working on a paper where I need to provide a reliable reference that defines and distinguishes between 3D mesh models and 3D city models. Although I am...
06 August 2024 9,986 2 View
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
After immunohistochemistry of previously fixed in PFA and EtOH and then frozen 20 μm sections of zebrafish brain, DAPI staining is very weak (right) compared to the same sections stained without...
05 August 2024 9,637 2 View
I am working on Abaqus/Explicit(Quasistatic ) for the deformation of the auxetic structure model. Please explain how the plastic input value should be considered from the true stress-strain curve...
05 August 2024 454 3 View