see above
Dear Kishna,
you can try this link PharmaGist Webserver
bioinfo3d.cs.tau.ac.il/PharmaGist/ and have a look to this publication
PharmaGist: a webserver for ligand-based pharmacophore detection
www.ncbi.nlm.nih.gov/pmc/articles/PMC2447755
Have a good day
jacques
Target identification -> HTVS -> Glide XP -> e-pharmacophore mapping?
03 April 2014 5,309 0 View
I've got two files, *.hex and *.pdb files. I want to see the interactions between those two proteins. How can I see it?
03 April 2014 10,167 2 View
I have the occupancy value (Binding area value of my protein docked with my ligands). Can I predict the IC 50 value?
03 April 2014 2,989 3 View
03 April 2014 456 3 View
In what bases does K-mean clustering separate data?
02 March 2014 7,575 6 View
Which server can use for heatmap generation? I have the docked file data (3 PDB files).
02 March 2014 10,021 0 View
Cluster Software programs: I have a set of compounds ( say 10000 ); I want to cluster them or group them into certain properties( say structures). How can I group them? Is there any software or...
01 February 2014 2,166 3 View
e-pharmacophore explanation.
01 February 2014 8,021 1 View
I have given the clustalw (*.aln file) as input and given the submit button,but it doesn't shows any alignment result or images? How to view the output files?
01 February 2014 9,870 3 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
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
I am seeking experimental or applicable data for the liner (LLDPE) interface in FLAC3D numerical modeling of a large stockpile. Could you please recommend suitable references? The preferred data...
05 August 2024 3,665 0 View
I am working on a SEM model where i have 7 latent variables (6 exogenous and 1 endogenous). In AMOS when I co-vary the exogenous constructs, only 2 paths are coming significant out of 6. But when...
03 August 2024 6,028 4 View