P
Paul N. Mortenson
Researcher at Astex
Publications - 41
Citations - 2292
Paul N. Mortenson is an academic researcher from Astex. The author has contributed to research in topics: Fragment-based lead discovery & Protein–ligand docking. The author has an hindex of 21, co-authored 41 publications receiving 2021 citations. Previous affiliations of Paul N. Mortenson include University of Cambridge.
Papers
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Journal ArticleDOI
Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance
Michael J. Hartshorn,Marcel L. Verdonk,Gianni Chessari,Suzanne C. Brewerton,Wijnand T. M. Mooij,Paul N. Mortenson,Christopher William Murray +6 more
TL;DR: A procedure for analyzing and classifying publicly available crystal structures has been developed and has been used to identify high-resolution protein-ligand complexes that can be assessed by reconstructing the electron density for the ligand using the deposited structure factors.
Book ChapterDOI
Energy landscapes: from clusters to biomolecules
Journal ArticleDOI
Protein−Ligand Docking against Non-Native Protein Conformers
Marcel L. Verdonk,Paul N. Mortenson,Richard J. Hall,Michael J. Hartshorn,Christopher William Murray +4 more
TL;DR: It is found that, whereas small variations in protein conformation are generally tolerated by the rigid docking protocol, larger protein movements result in a catastrophic drop-off in performance, some docking performance and nearly all sampling performance can be recovered by considering dockings produced against a small number of non-native structures simultaneously.
Patent
Pyrrolopyrimidine compounds as cdk inhibitors
Besong Gilbert,Christopher Thomas Brain,Brooks Clinton A,Miles Congreve,Claudio Dagostin,He Guo,Hou Ying,Howard Steven,Li Yue,Yipin Lu,Paul N. Mortenson,Troy Smith,Sung Moo,Steven John Woodhead,Wrona Wojciech,Bharat Lagu +15 more
TL;DR: In this article, the disclosed compounds relate to treatments and therapies for protein kinase-associated disorders and are useful in the treatment or prevention or amelioration of one or more symptoms of cancer, transplant rejections, and autoimmune diseases.
Journal ArticleDOI
Efficient exploration of chemical space by fragment-based screening.
TL;DR: It is shown that commercially available fragment space is still relatively poorly sampled and argued for highly sensitive screening methods to allow the detection of smaller fragments.