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1.
Optimal HTS Fingerprint Definitions by Using a Desirability Function and a Genetic Algorithm.
J Chem Inf Model
; 58(3): 641-646, 2018 03 26.
Article
in English
| MEDLINE | ID: mdl-29425455
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2.
Side-chain recognition and gating in the ribosome exit tunnel.
Proc Natl Acad Sci U S A
; 105(43): 16549-54, 2008 Oct 28.
Article
in English
| MEDLINE | ID: mdl-18946046
3.
Identification of NEK3 and MOK as novel targets for lithium.
Chem Biol Drug Des
; 93(5): 965-969, 2019 05.
Article
in English
| MEDLINE | ID: mdl-30667602
4.
Prediction of amyloid pathology in cognitively unimpaired individuals using voxel-wise analysis of longitudinal structural brain MRI.
Alzheimers Res Ther
; 11(1): 72, 2019 08 17.
Article
in English
| MEDLINE | ID: mdl-31421683
5.
Aggregated Compound Biological Signatures Facilitate Phenotypic Drug Discovery and Target Elucidation.
ACS Chem Biol
; 11(11): 3024-3034, 2016 11 18.
Article
in English
| MEDLINE | ID: mdl-27564241
6.
MHC-peptide binding is assisted by bound water molecules.
J Mol Biol
; 338(2): 419-35, 2004 Apr 23.
Article
in English
| MEDLINE | ID: mdl-15066441
7.
Biodiversity of small molecules--a new perspective in screening set selection.
Drug Discov Today
; 18(13-14): 674-80, 2013 Jul.
Article
in English
| MEDLINE | ID: mdl-23454345
8.
Rethinking molecular similarity: comparing compounds on the basis of biological activity.
ACS Chem Biol
; 7(8): 1399-409, 2012 Aug 17.
Article
in English
| MEDLINE | ID: mdl-22594495
9.
Atomic-scale characterization of conformational changes in the preQ1 riboswitch aptamer upon ligand binding.
J Mol Graph Model
; 30: 179-85, 2011 Sep.
Article
in English
| MEDLINE | ID: mdl-21831681
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