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Pocketome

Ligand PDB Het IDs. 2011–2018 Abagyan Lab. The Pocketome [Ref. 1]. Is an encyclopedia of conformational ensembles of druggable binding sites that can be identified experimentally from co-crystal structures in the Protein Data Bank. Each Pocketome entry describes a site on a protein surface that is involved in transient interactions with small molecules and peptides. The automatic Pocketome generation procedure includes only proteins that (i) have an entry in the reviewed part of the UniProt. The Pocketom...

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Pocketome | pocketome.org Reviews
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Ligand PDB Het IDs. 2011–2018 Abagyan Lab. The Pocketome [Ref. 1]. Is an encyclopedia of conformational ensembles of druggable binding sites that can be identified experimentally from co-crystal structures in the Protein Data Bank. Each Pocketome entry describes a site on a protein surface that is involved in transient interactions with small molecules and peptides. The automatic Pocketome generation procedure includes only proteins that (i) have an entry in the reviewed part of the UniProt. The Pocketom...
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Pocketome | pocketome.org Reviews

https://pocketome.org

Ligand PDB Het IDs. 2011–2018 Abagyan Lab. The Pocketome [Ref. 1]. Is an encyclopedia of conformational ensembles of druggable binding sites that can be identified experimentally from co-crystal structures in the Protein Data Bank. Each Pocketome entry describes a site on a protein surface that is involved in transient interactions with small molecules and peptides. The automatic Pocketome generation procedure includes only proteins that (i) have an entry in the reviewed part of the UniProt. The Pocketom...

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pocketome.org pocketome.org
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Pocketome

http://www.pocketome.org/index.cgi?act=abstract

Ligand PDB Het IDs. 2011–2016 Abagyan Lab. The Pocketome [Ref. 1]. Is an encyclopedia of conformational ensembles of druggable binding sites that can be identified experimentally from co-crystal structures in the Protein Data Bank. Each Pocketome entry describes a site on a protein surface that is involved in transient interactions with small molecules and peptides. The automatic Pocketome generation procedure includes only proteins that (i) have an entry in the reviewed part of the Uniprot. The Pocketom...

2

Pocketome

http://www.pocketome.org/index.cgi?act=browseall

Ligand PDB Het IDs. 2011–2016 Abagyan Lab. X2060;Other mammals;. X2060;Gram-positive bacteria;. X2060;Gram-negative bacteria;. 1433C TOBAC 1 252. 14-3-3-like protein C [14-3-3 family]. 1o9c, 1o9d, 1o9e, 1o9f, 2o98, 3e6y, 3m50, 3m51. Cw1, ebt, fsc, yr1. 1433S HUMAN 1 233. 14-3-3 protein sigma [14-3-3 family]. 0dv, 0kb, 0kc, 0kg, 0kh, 0v4, 1ct, 2ct, ca, cw7, fc7, fja, fsc, fw1, m1t, plp, sep, tpo, y03, y04, y06, y07, y09. 1433Z HUMAN 1 244 pep. 14-3-3 protein zeta/delta [14-3-3 family]. 1A12 SOLLC 11 438.

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ablab.ucsd.edu ablab.ucsd.edu

Abagyan Lab

http://ablab.ucsd.edu/index.html

Molecular Modeling and Bioinformatics. Ligand docking and drug discovery. Protein-protein docking and interface prediction. Binding pockets as drug targets. Website Of The Abagyan Lab. We dock compounds, proteins and peptides, do protein modeling, structure based lead discovery, drug repurposing, cheminformatics, molecular design, structural modeling and drug binding for GPCRs, kinases, nuclear receptors, green chemistry, structural basis of adverse effects. And the San Diego Supercomputer Center. Struct...

ablab.ucsd.edu ablab.ucsd.edu

Abagyan Lab

http://ablab.ucsd.edu/ex/home.html

Molecular Modeling and Bioinformatics. Ligand docking and drug discovery. Protein-protein docking and interface prediction. Binding pockets as drug targets. Website Of The Abagyan Lab. We dock compounds, proteins and peptides, do protein modeling, structure based lead discovery, drug repurposing, cheminformatics, molecular design, structural modeling and drug binding for GPCRs, kinases, nuclear receptors, green chemistry, structural basis of adverse effects. And the San Diego Supercomputer Center. Struct...

molsoft.com molsoft.com

Molsoft L.L.C.: The Latest Molsoft News

http://www.molsoft.com/news.html

Request a Trial License. The Latest Molsoft News. To subscribe to the MolSoft News Mailing List (approx 1 Email/month) or follow us on: Twitter. June 14th 2016: New Ligand Interaction Diagrams. A guide to the coloring and representation of the 2D diagrams:. Green shading represents hydrophobic region. Blue shading represents hydrogen bond acceptor. White dashed arrows represents hydrogen bonds. Grey parabolas represents accessible surface for large areas. At the PDB website. The image on the left shows t...

bioinformatictools.blogspot.com bioinformatictools.blogspot.com

Bioinformatics Tools: In-silico Binding Site Prediction in Proteins

http://bioinformatictools.blogspot.com/2012/02/in-silico-binding-site-prediction-in.html

Bioinformatics has evolved as a great tool for molecular biologists. There are various tools available for helping in reducing the time required to analyze biological materials be it DNA, RNA, Proteins etc. I wish to list here few of the commonly used tools. Please send me suggestions to improve the content. If you like or dislike something, let me know, your inputs matters. contact me: drsanjivk[at]gmail[dot]com. Sunday, February 26, 2012. In-silico Binding Site Prediction in Proteins. Is a meta server ...

ablab.ucsd.edu ablab.ucsd.edu

Abagyan Lab

http://ablab.ucsd.edu/ex/servers.html

Molecular Modeling and Bioinformatics. Ligand docking and drug discovery. Protein-protein docking and interface prediction. Binding pockets as drug targets. Results of 2013 worldwide assessment of GPCR modeling and docking. Encyclopedia of transient ligand pockets in 4D: multple conformations, subtype classification. Results of worldwide assessment of GPCR modeling and docking. Predict likely protein-protein interaction patches. Generate Elastic Network Normal Mode guided multiple receptor conformations.

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Pocketome

Ligand PDB Het IDs. 2011–2018 Abagyan Lab. The Pocketome [Ref. 1]. Is an encyclopedia of conformational ensembles of druggable binding sites that can be identified experimentally from co-crystal structures in the Protein Data Bank. Each Pocketome entry describes a site on a protein surface that is involved in transient interactions with small molecules and peptides. The automatic Pocketome generation procedure includes only proteins that (i) have an entry in the reviewed part of the UniProt. The Pocketom...

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