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SiMMap: analysis of site-moiety map

SiMMap, site-moiety map, pocket and functional group composition, protein-ligand interaction analysis, post-screening analysis, piecewise linear potential, drug discovery, biological mechanism, lead optimization

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SiMMap: analysis of site-moiety map | simfam.life.nctu.edu.tw Reviews
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SiMMap, site-moiety map, pocket and functional group composition, protein-ligand interaction analysis, post-screening analysis, piecewise linear potential, drug discovery, biological mechanism, lead optimization
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2 simfam
3 iGEMDOCK
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5 BioXGEM
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7 pocket and functional group composition
8 protein-ligand interaction analysis
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10 piecewise linear potential
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SiMMap: analysis of site-moiety map | simfam.life.nctu.edu.tw Reviews

https://simfam.life.nctu.edu.tw

SiMMap, site-moiety map, pocket and functional group composition, protein-ligand interaction analysis, post-screening analysis, piecewise linear potential, drug discovery, biological mechanism, lead optimization

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simfam.life.nctu.edu.tw simfam.life.nctu.edu.tw
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SiMMap: analysis of site-moiety map

http://simfam.life.nctu.edu.tw/mediaMainPage.php?JobId=example/tk_new/

SiMMap: analysis of site-moiety map. SiMMap: analysis of site-moiety map. SiMMap (anchors) : 4 anchors. Compound : site-moiety map. 1kim and 1000 compounds. Anchor scores of query compounds.

2

SiMMap: analysis of site-moiety map

http://simfam.life.nctu.edu.tw/mediaMainPage.php?JobId=example/est_new/

SiMMap: analysis of site-moiety map. SiMMap: analysis of site-moiety map. SiMMap (anchors) : 4 anchors. Compound : site-moiety map. 3ert and 1000 compounds. Anchor scores of query compounds.

3

SiMMap: analysis of site-moiety map

http://simfam.life.nctu.edu.tw/index.php

SiMMap: analysis of site-moiety map. SiMMap: Site-moiety map for drug discovery and mechanisms. An anchor (pocket-moiety interaction preference) of a site-moiety map represents. A binding pocket with conserved interacting residues and specific physico-chemical properties. Moiety preferences of the pocket. Input a target protein structure and its docked compounds. To obtain more information on that specific field. Please upload the binding site (or whole protein) in PDB format. ( example.

4

User help of SiMMap analysis

http://simfam.life.nctu.edu.tw/documentation.php

User help of SiMMap analysis. What can SiMMap analysis do for you? SiMMap server provides analysis of Si. The SiMMap server statistically derives site-moiety map with several anchors, which describe the relationship between the moiety preferences and physico-chemical properties of the binding site, from the interaction profiles between query target protein and its docked (or co-crystallized) compounds. Each anchor includes three basic elements: a binding pocket with conserved interacting residues, th...

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SiMMap: analysis of site-moiety map

SiMMap: analysis of site-moiety map. SiMMap: Site-moiety map for drug discovery and mechanisms. An anchor (pocket-moiety interaction preference) of a site-moiety map represents. A binding pocket with conserved interacting residues and specific physico-chemical properties. Moiety preferences of the pocket. Input a target protein structure and its docked compounds. To obtain more information on that specific field. Please upload the binding site (or whole protein) in PDB format. ( example.

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