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C

Chris de Graaf

université de la réunion

55H指数
244论文数
1.0W被引数
收录论文 99
发表时间
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ANNalog: generation of MedChem-similar moleculesANNalog: 生成类药物化学分子
errJournal of Cheminformatics
IF5.7
err2026-04-15
err0
errOAAI
errWei Dai; Jonathan D. Tyzack; Arianna Fornili; Chris de Graaf; Noel M. O’Boyle
err分享
err收藏
Vector competence of Aedes albopictus and Aedes aegypti from the islands of the Southwestern Indian Ocean for epidemic Zika, dengue, and chikungunya viruses南印度洋群岛来源的Aedes albopictus和Aedes aegypti的媒介容量对流行性寨卡、登革热和基孔肯雅热病毒。
errParasites & Vectors
IF3.5
err2025-12-12
err0
errOAAI
errSarah Hafsia; Yann Gomard; Clément De Graaf; Fiona Baudino; Haoues Alout; Cyrille Lebon; Patrick Rabarison; Ambdoul-bar Idaroussi; Amina Yssouf; Simon Julienne; David A. Wilkinson; Célestine Atyame; Patrick Mavingui
err分享
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Design, Synthesis and Pharmacological Characterization of the First Photoswitchable Small-Molecule Agonist for the Atypical Chemokine Receptor 3
errACS OMEGA
IF4.3
err2025-02-18
err0
errOAAI
errBerenger, Sophie; Adamska, Justyna M.; Deflorian, Francesca; de Graaf, Chris; Palmer, Christie B.; Szpakowska, Martyna; Chevigne, Andy; de Esch, Iwan J. P.; Zarzycka, Barbara; Vischer, Henry F.; Wijtmans, Maikel; Leurs, Rob
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Structural and functional determination of peptide versus small molecule ligand binding at the apelin receptor阿片肽受体上肽类与小型分子配体结合的结构与功能鉴定
errNATURE COMMUNICATIONS
IF15.7
err2024-12-27
err1
errOAAI
errWilliams, Thomas L.; Verdon, Gregory; Kuc, Rhoda E.; Currinn, Heather; Bender, Brian; Solcan, Nicolae; Schlenker, Oliver; Macrae, Robyn G. C.; Brown, Jason; Schuetz, Marco; Zhukov, Andrei; Sinha, Sanjay; de Graaf, Chris; Graef, Stefan; Maguire, Janet J.; Brown, Alastair J. H.; Davenport, Anthony P.
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Probing the Histamine H1 Receptor Binding Site to Explore Ligand Binding Kinetics
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2024-12-26
err0
errOAAI
errKuhne, Sebastiaan; Bosma, Reggie; Kooistra, Albert J.; Riemens, Rick; Stroet, Marc C. M.; Vischer, Henry F.; de Graaf, Chris; Wijtmans, Maikel; Leurs, Rob; de Esch, Iwan J. P.
err分享
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Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-10-23
err1
errOAAI
errPeter, Sonja; Siragusa, Lydia; Thomas, Morgan; Palomba, Tommaso; Cross, Simon; O'Boyle, Noel M.; Bajusz, David; Ferenczy, Gyorgy G.; Keseru, Gyorgy M.; Bottegoni, Giovanni; Bender, Brian; Chen, Ijen; De Graaf, Chris
err分享
err收藏
MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug designMolScore: 从头药物设计中生成模型的评分，评估和基准框架
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2024-05-30
err3
errOAAI
errThomas, Morgan; O'Boyle, Noel M.; Bender, Andreas; De Graaf, Chris
err分享
err收藏
Small Molecule Fluorescent Ligands for the Atypical Chemokine Receptor 3 (ACKR3)
errACS MEDICINAL CHEMISTRY LETTERS
IF4
err2023-12-08
err3
errOAAI
errDekkers, Sebastian; Comez, Dehan; Karsai, Noemi; Arimont-Segura, Marta; Canals, Meritxell; Caspar, Birgit; de Graaf, Chris; Kilpatrick, Laura E.; Leurs, Rob; Kellam, Barrie; Hill, Stephen J.; Briddon, Stephen J.; Stocks, Michael J.
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Alchemical Free Energy Calculations on Membrane-Associated Proteins膜相关蛋白的炼化自由能计算
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-30
err7
errOAAI
errPapadourakis, Michail; Sinenka, Hryhory; Matricon, Pierre; Henin, Jerome; Brannigan, Grace; Perez-Benito, Laura; Pande, Vineet; van Vlijmen, Herman; de Graaf, Chris; Deflorian, Francesca; Tresadern, Gary; Cecchini, Marco; Cournia, Zoe
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Artificial intelligence (AI) methodology in structural biology
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2023-10-01
err0
errOAAI
errBender, Andreas; de Graaf, Chris; O'Boyle, Noel
err分享
err收藏
Pharmacological Characterization and Radiolabeling of VUF15485, a High-Affinity Small-Molecule Agonist for the Atypical Chemokine Receptor ACKR3 S
errMOLECULAR PHARMACOLOGY
IF3
err2023-07-12
err4
errOAAI
errZarca, Aurelien M.; Adlere, Ilze; Viciano, Cristina P.; Arimont-Segura, Marta; Meyrath, Max; Simon, Icaro A.; Bebelman, Jan Paul; Laan, Dennis; Custers, Hans G. J.; Janssen, Elwin; Versteegh, Kobus L.; Buzink, Maurice C. M. L.; Nesheva, Desislava N.; Bosma, Reggie; de Esch, Iwan J. P.; Vischer, Henry F.; Wijtmans, Maikel; Szpakowska, Martyna; Chevigne, Andy; Hoffmann, Carsten; de Graaf, Chris; Zarzycka, Barbara A.; Windhorst, Albert D.; Smit, Martine J.; Leurs, Rob
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Editorial: Peptide-binding GPCRs coming of age
errFRONTIERS IN ENDOCRINOLOGY
IF4.6
err2023-04-21
err2
errOAAI
errDi Pizio, Antonella; Bermudez, Marcel; De Graaf, Chris; Jockers, Ralf
err分享
err收藏
Integrating structure-based approaches in generative molecular
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2023-04-01
err23
errOAAI
errThomas, Morgan; Bender, Andreas; de Graaf, Chris
err分享
err收藏
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation增强爬坡提高了基于语言的从头分子生成的强化学习效率
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2022-10-03
err16
errOAAI
errThomas, Morgan; O'Boyle, Noel M.; Bender, Andreas; de Graaf, Chris
err分享
err收藏
Classification Model for the Second Extracellular Loop of Class A GPCRs
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-02-03
err30
PREAI
errNicoli, Alessandro; Dunkel, Andreas; Giorgino, Toni; de Graaf, Chris; Di Pizio, Antonella
err分享
err收藏
Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2021-05-13
err43
errOAAI
errThomas, Morgan; Smith, Robert T.; O'Boyle, Noel M.; de Graaf, Chris; Bender, Andreas
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Advanced fluorescence microscopy reveals disruption of dynamic CXCR4 dimerization by subpocket-specific inverse agonists先进的荧光显微镜揭示了亚口袋特异性反向激动剂对动态CXCR4二聚化的破坏
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2020-11-04
err45
errOAAI
errIsbilir, Ali; Moeller, Jan; Arimont, Marta; Bobkov, Vladimir; Perpina-Viciano, Cristina; Hoffmann, Carsten; Inoue, Asuka; Heukers, Raimond; de Graaf, Chris; Smit, Martine J.; Annibale, Paolo; Lohse, Martin J.
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KLIFS: an overhaul after the first 5 years of supporting kinase research
errNUCLEIC ACIDS RESEARCH
IF13.1
err2020-10-21
err89
errOAAI
errKanev, Georgi K.; de Graaf, Chris; Westerman, Bart A.; de Esch, Iwan J. P.; Kooistra, Albert J.
err分享
err收藏
X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2020-07-22
err20
errOAAI
errJespers, Willem; Verdon, Gregory; Azuaje, Jhonny; Majellaro, Maria; Keranen, Henrik; Garcia-Mera, Xerardo; Congreve, Miles; Deflorian, Francesca; de Graaf, Chris; Zhukov, Andrei; Dore, Andrew S.; Mason, Jonathan S.; Aqvist, Johan; Cooke, Robert M.; Sotelo, Eddy; Gutierrez-de-Teran, Hugo
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Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-06-15
err48
PREAI
errDeflorian, Francesca; Perez-Benito, Laura; Lenselink, Eelke B.; Congreve, Miles; van Vlijmen, Herman W. T.; Mason, Jonathan S.; de Graaf, Chris; Tresadern, Gary
err分享
err收藏

研究方向

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