Doris A. Schuetz
Doris A. Schuetz
Research Advisor at the IRIC - Université de Montréal
Adresse e-mail validée de umontreal.ca
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Kinetics for Drug Discovery: an industry-driven effort to target drug residence time
DA Schuetz, WEA de Witte, YC Wong, B Knasmueller, L Richter, DB Kokh, ...
Drug Discovery Today 22 (6), 896-911, 2017
1302017
Predicting residence time and drug unbinding pathway through scaled molecular dynamics
DA Schuetz, M Bernetti, M Bertazzo, D Musil, HM Eggenweiler, ...
Journal of chemical information and modeling 59 (1), 535-549, 2018
432018
Ligand desolvation steers on-rate and impacts drug residence time of heat shock protein 90 (Hsp90) inhibitors
DA Schuetz, L Richter, M Amaral, M Grandits, U Grädler, D Musil, ...
Journal of medicinal chemistry 61 (10), 4397-4411, 2018
262018
The pharmacophore concept and its applications in computer-aided drug design
T Seidel, DA Schuetz, A Garon, T Langer
Progress in the Chemistry of Organic Natural Products 110, 99-141, 2019
202019
GRAIL: Grids of pharmacophore interaction fields
DA Schuetz, T Seidel, A Garon, R Martini, M Körbel, GF Ecker, T Langer
Journal of chemical theory and computation 14 (9), 4958-4970, 2018
122018
A structure–kinetic relationship study using matched molecular pair analysis
DA Schuetz, L Richter, R Martini, GF Ecker
RSC medicinal chemistry 11 (11), 1285-1294, 2020
22020
Discovery of a dual Ras and ARF6 inhibitor from a GPCR endocytosis screen
J Giubilaro, DA Schuetz, TM Stepniewski, Y Namkung, E Khoury, ...
Nature Communications 12 (1), 1-16, 2021
2021
Full wwPDB X-ray Structure Validation Report - Human Heat Shock Protein 90 bound to 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl …
DA Schuetz, L Richter, M Amaral, M Grandits, D Musil, U Graedler, ...
https://files.rcsb.org/pub/pdb/validation_reports/oc/5oci …, 2019
2019
Full wwPDB X-ray Structure Validation Report - Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative
M Amaral, D Schuetz
http://files.rcsb.org/pub/pdb/validation_reports/od/5odx …, 2019
2019
Full wwPDB X-ray Structure Validation Report - Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time
DA Schuetz, L Richter, M Amaral, M Grandits, D Musil, U Graedler, ...
2019
Full wwPDB X-ray Structure Validation Report - Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time
DA Schuetz, L Richter, M Amaral, M Grandits, D Musil, U Graedler, ...
https://files.rcsb.org/pub/pdb/validation_reports/od/5od7 …, 2019
2019
Full wwPDB X-ray Structure Validation Report - HSP90 WITH indazole derivative
U Graedler, M Amaral, D Schuetz
https://files.rcsb.org/pub/pdb/validation_reports/ln/5lny …, 2018
2018
Full wwPDB X-ray Structure Validation Report - HSP90 WITH indazole derivative
U Graedler, M Amaral, D Schuetz
https://files.rcsb.org/pub/pdb/validation_reports/ln/5lnz …, 2018
2018
Full wwPDB X-ray Structure Validation Report - HSP90 WITH indazole derivative
U Graedler, M Amaral, D Schuetz
https://files.rcsb.org/pub/pdb/validation_reports/lo/5lo0 …, 2018
2018
Full wwPDB X-ray Structure Validation Report - HSP90 WITH indazole derivative
U Graedler, M Amaral, D Schuetz
https://files.rcsb.org/pub/pdb/validation_reports/lo/5lo1 …, 2018
2018
Structure-kinetics relationship analysis of a set of HSP90 inhibitors
DA Schuetz, MI Amaral, M Frech, GF Ecker
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014
2014
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