Joel Freyss
Overview
Explore the profile of Joel Freyss including associated specialties, affiliations and a list of published articles.
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7
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641
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Recent Articles
1.
Wahl J, Freyss J, von Korff M, Sander T
J Cheminform
. 2019 Aug;
11(1):53.
PMID: 31392432
The Platinum dataset of protein-bound ligand conformations was used to benchmark the ability of the MMFF94s force field to generate bioactive conformations by minimization of randomly generated conformers. Torsion angle...
2.
Sander T, Freyss J, von Korff M, Rufener C
J Chem Inf Model
. 2015 Jan;
55(2):460-73.
PMID: 25558886
Drug discovery projects in the pharmaceutical industry accumulate thousands of chemical structures and ten-thousands of data points from a dozen or more biological and pharmacological assays. A sufficient interpretation of...
3.
von Korff M, Rufener C, Stritt M, Freyss J, Bar R, Sander T
Expert Opin Drug Discov
. 2012 Jun;
6(2):103-7.
PMID: 22647131
Grid computing offers an opportunity to gain massive computing power at low costs. We give a short introduction into the drug discovery process and exemplify the use of grid computing...
4.
Fighting high molecular weight in bioactive molecules with sub-pharmacophore-based virtual screening
von Korff M, Freyss J, Sander T, Boss C, Ciana C
J Chem Inf Model
. 2012 Jan;
52(2):380-90.
PMID: 22251316
A new subpharmacophore-based virtual screening method is introduced. Subpharmacophores are derived from large active molecules to detect small bioactive molecules as seeds for starting points in medicinal chemistry programs. A...
5.
Sander T, Freyss J, von Korff M, Reich J, Rufener C
J Chem Inf Model
. 2009 May;
49(2):232-46.
PMID: 19434825
We present OSIRIS, an entirely in-house developed drug discovery informatics system. Its components cover all information handling aspects from compound synthesis via biological testing to preclinical development. Its design principles...
6.
von Korff M, Freyss J, Sander T
J Chem Inf Model
. 2009 May;
49(2):209-31.
PMID: 19434824
Several in-house developed descriptors and our in-house docking tool ActDock were compared with virtual screening on the data set of useful decoys (DUD). The results were compared with the chemical...
7.
von Korff M, Freyss J, Sander T
J Chem Inf Model
. 2008 Apr;
48(4):797-810.
PMID: 18393490
A novel pharmacophore descriptor Flexophore is presented, which considers molecular flexibility when comparing descriptor similarities. The descriptor is a complete reduced graph of the underlying molecule. Its nodes are represented...