alchemoinformatics.blogspot.com

alchemoinformatics

Saturday, 28 May 2011. PepMMsMIMIC paper is out. Paper now can be accessed from the Nucleic Acid Research website. Tuesday, 26 April 2011. A novel web-oriented peptidomimetic compound virtual screening tool. Is a public, web-based virtual screening platform with the aim to suggest chemical. Compounds whose essential elements (pharmacophore) mimic a natural peptide or protein in 3D space which hopefully retain the ability to interact with the biological target and produce the typical biological effect.

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alchemoinformatics | alchemoinformatics.blogspot.com Reviews

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Saturday, 28 May 2011. PepMMsMIMIC paper is out. Paper now can be accessed from the Nucleic Acid Research website. Tuesday, 26 April 2011. A novel web-oriented peptidomimetic compound virtual screening tool. Is a public, web-based virtual screening platform with the aim to suggest chemical. Compounds whose essential elements (pharmacophore) mimic a natural peptide or protein in 3D space which hopefully retain the ability to interact with the biological target and produce the typical biological effect.

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1 alchemoinformatics

2 the pepmmsmimic

3 pubblicato da

4 matteo floris

5 1 comment

6 pepmmsmimic

7 peptide

8 annotation points

9 in 3d space

10 here the abstract

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alchemoinformatics | alchemoinformatics.blogspot.com Reviews

https://alchemoinformatics.blogspot.com

Saturday, 28 May 2011. PepMMsMIMIC paper is out. Paper now can be accessed from the Nucleic Acid Research website. Tuesday, 26 April 2011. A novel web-oriented peptidomimetic compound virtual screening tool. Is a public, web-based virtual screening platform with the aim to suggest chemical. Compounds whose essential elements (pharmacophore) mimic a natural peptide or protein in 3D space which hopefully retain the ability to interact with the biological target and produce the typical biological effect.

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alchemoinformatics.blogspot.com

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alchemoinformatics: September 2010

http://alchemoinformatics.blogspot.com/2010_09_01_archive.html

Friday, 17 September 2010. Silicos released the source code of the tool Pharao. Here some notes about the installation of Pharao. I had some problems, and with the help of the Pharao developers (Gert Thijs) I understood how to install it properly. 2) install the latest openbabel release via svn. 3) follow the installation of openbabel here. 4) download and install pharao. If everything worked fine, there should not be any problem. See also BO exchange. Sunday, 12 September 2010. With a dedicated (and lar...

2

alchemoinformatics: February 2010

http://alchemoinformatics.blogspot.com/2010_02_01_archive.html

Saturday, 27 February 2010. Clustering with rcdk and Python. I received an email from a collegue: "I have a list of ChEBI IDs with the corresponding SMILES; I'd like to do some clustering, based on a similarity measure between the structures". I want to propose here a method based on the rcdk. Developed by R. Guha. This package is really nice. You should read carefully this article. This can be done with a Python script:. 1) you can create your structural keys with an external tool (or, with the rcdk.

3

alchemoinformatics: Splicing isoforms modeling, peptidomimetics and molecular dynamic made easy

http://alchemoinformatics.blogspot.com/2011/04/splicing-isoforms-modeling.html

Wednesday, 13 April 2011. Splicing isoforms modeling, peptidomimetics and molecular dynamic made easy. This new season is started with 3 new accepted papers. Here a brief introduction, I will give more details very soon for each of them:. Maìstas (Bioinformatics, first name. Pep:MMs:MIMIC (Nucleic Acid Research, Web Server Issue, first name. 27 April 2011 at 07:49. This comment has been removed by a blog administrator. 4 October 2011 at 10:07. Subscribe to: Post Comments (Atom). Meaning gold, later arabi...

4

alchemoinformatics: November 2010

http://alchemoinformatics.blogspot.com/2010_11_01_archive.html

Monday, 8 November 2010. Who is using MMsINC? A good number of people are using MMsINC. Summary from May to October 2010),. But what is interesting is the geographical distribution of the visitors: of the last 500 visitors, 67% were from India. Subscribe to: Posts (Atom). Originally derived from the Old Persian word Kimia. Meaning gold, later arabized as (Arabic: al-kimi‎), and from the recent word informatics. Who is using MMsINC? Blue Obelisk Exchange - Questions Feed. Chemical blogspace - BO posts.

5

alchemoinformatics: December 2010

http://alchemoinformatics.blogspot.com/2010_12_01_archive.html

Thursday, 23 December 2010. How to download MMsINC entries for Autodock. Suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. AutoDock 4 uses PDBQT formatted files not only for the receptor but also for the ligand. The PDBQT format is described here. Yesterday I have converted all the MMsINC entries (about 4M) to the PDBQT format. Have a look at this example page. Thursday, 16 December 2010. In hi...

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User matteo floris - Blue Obelisk eXchange

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Sign in with your email. Almost 7 years ago. Over 3 years ago. Website http:/ alchemoinformatics.blogspot.com/. 13 Questions - Sort by:. How to display a chemical similarity network within HTML documents? Over 4 years ago. Which is the molecular format with the best compromise between chemical informations and file size? Almost 5 years ago. Is there any validation of the open unique SMILES notation tools/implementations? Over 5 years ago. Over 5 years ago. Over 5 years ago. Over 5 years ago. All Shapado&...

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alchemoinformatics.blogspot.com

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Saturday, 28 May 2011. PepMMsMIMIC paper is out. Paper now can be accessed from the Nucleic Acid Research website. Tuesday, 26 April 2011. A novel web-oriented peptidomimetic compound virtual screening tool. Is a public, web-based virtual screening platform with the aim to suggest chemical. Compounds whose essential elements (pharmacophore) mimic a natural peptide or protein in 3D space which hopefully retain the ability to interact with the biological target and produce the typical biological effect.

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