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Cemal Köprülüoğlu
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Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo [1, 5-a] pyrimidines
M Hylsová, B Carbain, J Fanfrlík, L Musilová, S Haldar, C Köprülüoğlu, ...
European Journal of Medicinal Chemistry 126, 1118-1128, 2017
392017
SQM/COSMO Scoring Function: Reliable Quantum‐Mechanical Tool for Sampling and Ranking in Structure‐Based Drug Design
A Pecina, SM Eyrilmez, C Köprülüoğlu, VM Miriyala, M Lepšík, J Fanfrlík, ...
ChemPlusChem 85 (11), 2362-2371, 2020
182020
Imidazo[1,2‐c]pyrimidin‐5(6H)‐one as a novel core of cyclin‐dependent kinase 2 inhibitors: Synthesis, activity measurement, docking, and quantum mechanical …
H Ajani, J Jansa, C Köprülüoğlu, P Hobza, V Kryštof, A Lyčka, M Lepsik
Journal of Molecular Recognition 31 (9), e2720, 2018
142018
Impressive Enrichment of Semiempirical Quantum Mechanics‐Based Scoring Function: HSP90 Protein with 4541 Inhibitors and Decoys
SM Eyrilmez, C Köprülüoğlu, J Řezáč, P Hobza
ChemPhysChem 20 (21), 2759-2766, 2019
112019
Multipodal insulin mimetics built on adamantane or proline scaffolds
J Hajduch, B Fabre, B Klopp, R Pohl, M Buděšínský, V Šolínová, ...
Bioorganic chemistry 107, 104548, 2021
62021
Optimization of norbornyl‐based carbocyclic nucleoside analogs as cyclin‐dependent kinase 2 inhibitors
C Köprülüoğlu, M Dejmek, M Šála, H Ajani, H Hřebabecký, J Fanfrlík, ...
Journal of Molecular Recognition 33 (8), e2842, 2020
22020
HeliDye1: helquat fluorogenic probe specific for AT-rich DNA duplexes
E Kužmová, V Joshi, J Kozák, L Severa, L Bednarova, Y Yurenko, ...
12022
Front Cover: SQM/COSMO Scoring Function: Reliable Quantum‐Mechanical Tool for Sampling and Ranking in Structure‐Based Drug Design (ChemPlusChem 11/2020)
A Pecina, SM Eyrilmez, C Köprülüoğlu, VM Miriyala, M Lepšík, J Fanfrlík, ...
ChemPlusChem 85 (11), 2357-2357, 2020
12020
COMPUTER-AIDED DRUG DESIGN
C KÖPRÜLÜOGLU
UNIVERZITA PALACKÉHO V OLOMOUCI, 2020
2020
Front Cover: Impressive Enrichment of Semiempirical Quantum Mechanics‐Based Scoring Function: HSP90 Protein with 4541 Inhibitors and Decoys (ChemPhysChem 21/2019)
SM Eyrilmez, C Köprülüoğlu, J Řezáč, P Hobza
ChemPhysChem 20 (21), 2718-2718, 2019
2019
Molecular modeling of interactions between alachlor and its byproducts with cysteine
C Köprülüoğlu, C Selçuki
Current Opinion in Biotechnology, S78, 2011
2011
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Articles 1–11