ZINCPHARMER.CSB.PITT.EDU

Welcome to ZINCPharmer

Search software for screening the purchasable subset of the ZINC. Database (updates occur monthly). ZINCPharmer can import LigandScout. Pharmacophore definitions, as well as identify pharmacophore features. User Guide and Forum. Targeting a protein-protein interaction? Design a pharmacophore from the PPI with PocketQuery. As part of the Teach-Discover-Treat. Competition, this pharmacophore for the anti-malarial target dihydroorotate dehydrogenase was developed during an interactive exercise. Are often us...

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Welcome to ZINCPharmer | zincpharmer.csb.pitt.edu Reviews

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Search software for screening the purchasable subset of the ZINC. Database (updates occur monthly). ZINCPharmer can import LigandScout. Pharmacophore definitions, as well as identify pharmacophore features. User Guide and Forum. Targeting a protein-protein interaction? Design a pharmacophore from the PPI with PocketQuery. As part of the Teach-Discover-Treat. Competition, this pharmacophore for the anti-malarial target dihydroorotate dehydrogenase was developed during an interactive exercise. Are often us...

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1 zinc pharmer

2 zincpharmer

3 is free pharmacophore

4 and moe

5 directly from structure

6 from pdb structure

7 ligand

8 search zinc

9 java problems

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Welcome to ZINCPharmer | zincpharmer.csb.pitt.edu Reviews

https://zincpharmer.csb.pitt.edu

Search software for screening the purchasable subset of the ZINC. Database (updates occur monthly). ZINCPharmer can import LigandScout. Pharmacophore definitions, as well as identify pharmacophore features. User Guide and Forum. Targeting a protein-protein interaction? Design a pharmacophore from the PPI with PocketQuery. As part of the Teach-Discover-Treat. Competition, this pharmacophore for the anti-malarial target dihydroorotate dehydrogenase was developed during an interactive exercise. Are often us...

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zincpharmer.csb.pitt.edu

1

ZINCPharmer

http://zincpharmer.csb.pitt.edu/pharmer.html?SESSION=examples/DHODH.query

Please keep in mind that you may not redistribute major portions of ZINC without the express permission of John Irwin. Pharmacophore features. Supported formats:. Pml (LigandScout), .ph4 (MOE), .json (Pharmer), .txt (LigBuilder), .mol2 (PharmaGist) and most molecular structure formats. Protein structure to assist visualization. Max Hits per Conf:. Max Hits per Mol:. Le; Molecular Weight ≤. Le; Rotatable Bonds ≤. ZINC Drug Database (Metabolites). Map Partial Charge (pdb only).

2

ZINCPharmer

http://zincpharmer.csb.pitt.edu/pharmer.html?USE=HTML5

Please keep in mind that you may not redistribute major portions of ZINC without the express permission of John Irwin. Pharmacophore features. Supported formats:. Pml (LigandScout), .ph4 (MOE), .json (Pharmer), .txt (LigBuilder), .mol2 (PharmaGist) and most molecular structure formats. Protein structure to assist visualization. Max Hits per Conf:. Max Hits per Mol:. Le; Molecular Weight ≤. Le; Rotatable Bonds ≤. ZINC Drug Database (Metabolites). Map Partial Charge (pdb only).

3

Teach-Discover-Treat with ZINCPharmer

http://zincpharmer.csb.pitt.edu/tdt

Stop DHODH, Stop. Build off the results of last year's Teach-Discover-Treat. Competition and develop a high-quality pharmacophore. Model for inhibitors of. Dihydroorotate dehydrogenase. Inhibitors of this enzyme in the. Parasite provide an alternative mechanism for the treatment of malaria, a disease that is evolving resistance to existing treatments. Develop a pharmacophore model and scoring function for DHODH inhibitors that is useful for virtual screening and pose prediction. Iteratively refine model&...

4

ZINCPharmer • Index page

http://zincpharmer.csb.pitt.edu/phorum

Free online pharmacophore search of the ZINC database. It is currently June 26th, 2016, 3:21 pm. Bull; View active topics. Getting the most out of ZINCPharmer. November 3rd, 2012, 6:19 pm. Questions, comments, and feedback. June 13th, 2013, 1:13 pm. Report problems and feature requests. June 18th, 2013, 6:28 am. Log me on automatically each visit. In total there is 1. User online : 0 registered, 0 hidden and 1 guest (based on users active over the past 5 minutes). Most users ever online was 1296.

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stemchem.org

StemChem

http://www.stemchem.org/Databases/Databases.htm

Libraries of compounds for High-Throughput Screening (HTS, Standford University). Database (A resource in the public domain which provides information on the abilities of drugs to interact with an expanding number of molecular targets). KDBI: Kinetic Data of Bio-molecular Interaction database. SKEMPI (A Structural Kinetic and Energetic database of Mutant Protein Interactions and its use in empirical models). Potential Drug Target Database (PDTD). ZINCPharmer: pharmacophore search of the ZINC database.

smoothdock.ccbb.pitt.edu

Publications — SmoothDock

http://smoothdock.ccbb.pitt.edu/publications

Only in current section. T Travers, H. Shao, B. A. Joughin, D. A. Lauffenburger, A. Wells, C. J. Camacho, Tandem phosphorylation within an intrinsically disordered region regulates ACTN4 function. Shao H, Travers T, Camacho CJ, Wells A. The carboxyl tail of alpha-actinin-4. Regulates its susceptibility to m-calpain and thus functions in cell migration. And spreading. Int J Biochem Cell Biol. 2013 Jun;45(6):1051-63. Epub 2013 Mar 1. (PMID: 23466492. 5;104(3):705-15. (PMID: 23442921. N, Matsuzaki Y, Ishida...

smoothdock.ccbb.pitt.edu

Pharmer: Open-Source Software for Efficient and Exact Pharmacophore Search

http://smoothdock.ccbb.pitt.edu/pharmer

Efficient and Exact Pharmacophore Search. A pharmacophore for Heat Shock Protein 90. Pharmer recovers 11 active compounds from a 1.8 million conformer library generated from the MUV. HSP90 dataset in about 30 seconds. Pharmer is a pharmacophore. Search technology that can search millions of chemical structures in seconds. Unlike other technologies, the performance of Pharmer scales with the complexity of the query, not the size of the library being searched. Pharmer was developed by David Koes.

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zincpharmer.csb.pitt.edu

Welcome to ZINCPharmer

Search software for screening the purchasable subset of the ZINC. Database (updates occur monthly). ZINCPharmer can import LigandScout. Pharmacophore definitions, as well as identify pharmacophore features. User Guide and Forum. Targeting a protein-protein interaction? Design a pharmacophore from the PPI with PocketQuery. As part of the Teach-Discover-Treat. Competition, this pharmacophore for the anti-malarial target dihydroorotate dehydrogenase was developed during an interactive exercise. Are often us...

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