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G

Gerard J. P. van Westen

leiden university

40H指数
255论文数
6.0K被引数
收录论文 111
发表时间
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Automated Parallel Synthesis Accelerates Virtual Screening Hit Discovery自动化平行合成加速虚拟筛选命中发现
errJournal of the American Chemical Society
IF15.6
err2026-07-09
err0
errOAAI
errSean M. McKenna; Martin Šícho; Cas van der Horst; Jesse Maasland; Edith van der Nol; Gianluca Turco; Andrius Bernatavicius; Gerard J.P. van Westen; Laura H. Heitman; Sebastian J. Pomplun
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Artificial Intelligence for Regulatory Evidence: A Systematic Document Analysis of European Medicines Agency Regulatory Advice and Public Reports人工智能在监管证据中的应用：欧洲药品管理局监管建议和公众报告的系统文档分析
errCLINICAL PHARMACOLOGY & THERAPEUTICS
IF5.5
err2026-05-07
err0
errOAAI
errLucina-May Nollen; Gerard J.P. van Westen; Gabriel Westman; Anna M.G. Pasmooij
err分享
err收藏
A Structure-Based Platform for Predicting Chemical-Induced Parkinson’s Disease基于结构的平台用于预测化学诱导的帕金森病
errChemical Research in Toxicology
IF3.8
err2026-04-29
err0
PREAI
errLinde Schoenmaker; Emmelie E. M. van der Veer; Daan A. Jiskoot; Olivier J.M. Béquignon; Gerard J.P. van Westen; Willem Jespers
err分享
err收藏
Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site以少胜多：通过聚焦结合位点实现准确且可扩展的配体自由能计算
errJournal of Chemical Information and Modeling
IF5.3
err2026-02-13
err0
errOAAI
errDavid Alencar Araripe; Alejandro Díaz-Holguín; Antti Poso; Gerard J. P. van Westen; Johan Åqvist; Hugo Gutiérrez-de-Terán; Willem Jespers
err分享
err收藏
Combining Bayesian and Evidential Uncertainty Quantification for Improved Bioactivity Modeling
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-12-01
err0
PREAI
errKhalil, Bola; Schweighofer, Kajetan; Dyubankova, Natalia; van Westen, Gerard J. P.; van Vlijmen, Herman
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Identification of determinants of high-fidelity DNA synthesis in Mycobacterium smegmatis DnaE1 through in silico and in vivo approaches通过计算和体内方法鉴定分枝杆菌耻垢杆菌DnaE1高保真DNA合成的决定因素
errNUCLEIC ACIDS RESEARCH
IF13.1
err2025-11-26
err0
errOAAI
errKuin, Rosan C. M.; Van Westen, Gerard J. P.; Lamers, Meindert H.
err分享
err收藏
Machine Learning-Identified Potent Antimicrobial Peptides Against Multidrug-Resistant Bacteria and Skin Infections机器学习识别的针对多药耐药细菌和皮肤感染的高效抗菌肽
errAntibiotics 2025, Vol. 14, Page 1172
IF0
err2025-11-20
err0
errOAAI
errGizem Babuççu; Nikitha Vavilthota; Colin Bournez; Leonie de Boer; Robert A. Cordfunke; Peter H. Nibbering; Gerard J. P. van Westen; Jan W. Drijfhout; Sebastian A. J. Zaat; Martijn Riool
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Combining AlphaFold with Focused Virtual Library Design in the Development of Novel CCR2 and CCR5 Antagonists结合AlphaFold与定向虚拟库设计在新型CCR2和CCR5拮抗剂开发中的应用
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-11-01
err0
PREAI
errEssa, Khaled; van der Dussen, Kian Noorman; Yao, Yao; Bleijs, Bente; Zacarias, Natalia V. Ortiz; Heitman, Laura H.; van Westen, Gerard J. P.; Jespers, Willem; van der Es, Daan; Sicho, Martin
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In silico prediction of endocrine activity体外预测内分泌活性
errTrends in Endocrinology & Metabolism
IF0
err2025-10-25
err0
errOAAI
errDaan A. Jiskoot; Jeroen L.A. Pennings; Willie J.G.M. Peijnenburg; Gerard J.P. van Westen; Willem Jespers; Pim N.H. Wassenaar
err分享
err收藏
PyVADesign: a python-based cloning tool for one-step generation of large mutant librariesPyVADesign：一种基于Python的克隆工具，用于一次性生成大型突变体文库
errBIOINFORMATICS
IF5.4
err2025-09-01
err1
errOAAI
errKuin, R. C. M.; Lamers, M. H.; van Westen, G. J. P.
err分享
err收藏
Toward Assay-Aware Bioactivity Model(er)s: Getting a Grip on Biological Context面向 Assay-Aware 生物活性模型：把握生物学背景
errJournal of Chemical Information and Modeling
IF5.3
err2025-06-30
err0
errOAAI
errLinde Schoenmaker; Enzo G. Sastrokarijo; Laura H. Heitman; Joost B. Beltman; Willem Jespers; Gerard J.P. van Westen
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err收藏
Evaluation of tumor targets selected from public genomic databases for imaging of pancreatic ductal adenocarcinoma评估从公共基因组数据库中选定的肿瘤靶点在胰腺导管腺癌成像中的应用
errSCIENTIFIC REPORTS
IF3.9
err2025-05-16
err0
errOAAI
errBadr, Nada; Elshof, Luca Ten; Houvast, Ruben D.; de Muynck, Lysanne D. A. N.; Crobach, A. Stijn L. P.; van Westen, Gerard J. P.; van Vlierberghe, Ronald L. P.; Mieog, J. Sven D.; Vahrmeijer, Alexander L.; Kuppen, Peter J. K.
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err收藏
Integrating Pharmacokinetics and Quantitative Systems Pharmacology Approaches in Generative Drug Design整合药代动力学和定量系统药理学方法在生成式药物设计中的应用
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-05-09
err0
errOAAI
errvan den Maagdenberg, Helle W.; de Mol van Otterloo, Jikke; van Hasselt, J. G. Coen; van der Graaf, Piet H.; van Westen, Gerard J. P.
err分享
err收藏
A Patient-Derived 3D Cyst Model of Polycystic Kidney Disease That Mimics Disease Development and Responds to Repurposing Candidates一种源自患者的3D囊肿模型，用于多囊肾病，能够模拟疾病发展并对药物再利用候选物产生反应
errCTS-CLINICAL AND TRANSLATIONAL SCIENCE
IF2.8
err2025-04-15
err0
errOAAI
errMeyer, Alina; Khalil, Bola; Iljin, Margarita; Bange, Hester; Price, Leo S.; Dyubankova, Natalia; van Westen, Gerard J. P.; van Vlijmen, Herman; Peters, Dorien J. M.; Artursson, Per
err分享
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Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug design生成可用资源在全新药物设计中实现内部合成性
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2025-03-28
err1
errOAAI
errHassen, Alan Kai; Sicho, Martin; van Aalst, Yorick J.; Huizenga, Mirjam C. W.; Reynolds, Darcy N. R.; Luukkonen, Sohvi; Bernatavicius, Andrius; Clevert, Djork-Arne; Janssen, Antonius P. A.; van Westen, Gerard J. P.; Preuss, Mike
err分享
err收藏
HLA-E/peptide complexes differentially interact with NKG2A/CD94 and T cell receptorsHla-e/肽复合物与NKG2A/CD94和T细胞受体的差异相互作用
errJOURNAL OF IMMUNOLOGY
IF3.4
err2025-03-01
err0
errOAAI
errVoogd, Linda; van den Broek, Remco L.; van Wolfswinkel, Marjolein; Franken, Kees L. M. C.; Ruibal, Paula; Jespers, Willem; Leitner, Judith; Steinberger, Peter; van Westen, Gerard J. P.; Ottenhoff, Tom H. M.; Joosten, Simone A.
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Prediction of the Extent of Blood-Brain Barrier Transport Using Machine Learning and Integration into the LeiCNS-PK3.0 Model
errPHARMACEUTICAL RESEARCH
IF4.3
err2025-02-10
err0
errOAAI
errGulave, Berfin; van den Maagdenberg, Helle W.; van Boven, Luke; van Westen, Gerard J. P.; de Lange, Elizabeth C. M.; van Hasselt, J. G. Coen
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err收藏
The effect of cancer-associated mutations on ligand binding and receptor function - A case for the 5-HT2C receptor
errEUROPEAN JOURNAL OF PHARMACOLOGY
IF4.7
err2024-12-01
err0
errOAAI
errFeng, Chenlin; Liu, Rongfang; Brooks, Reno; Wang, Xuesong; Jespers, Willem; Gonzalez, Marina Gorostiola; van Westen, Gerard J. P.; Danen, Erik H. J.; Heitman, Laura H.
err分享
err收藏
QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2024-11-14
err0
errOAAI
errvan den Maagdenberg, Helle W.; Sicho, Martin; Araripe, David Alencar; Luukkonen, Sohvi; Schoenmaker, Linde; Jespers, Michiel; Bequignon, Olivier J. M.; Gonzalez, Marina Gorostiola; van den Broek, Remco L.; Bernatavicius, Andrius; van Hasselt, J. G. Coen; van der Graaf, Piet. H.; van Westen, Gerard J. P.
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CC chemokine receptor 2 is allosterically modulated by sodium ions and amiloride derivatives through a distinct sodium ion binding siteCC趋化因子受体2通过不同的钠离子结合位点被钠离子和阿米洛利衍生物变构调节
errBIOCHEMICAL PHARMACOLOGY
IF5.6
err2024-11-01
err0
PREAI
errden Hollander, Lisa S.; Zweemer, Annelien J. M.; Bequignon, Olivier J. M.; Hammerl, Dora M.; Bleijs, Bente T. M.; Veenhuizen, Margo; Lantsheer, Wernard J. F.; Chau, Bobby; van Westen, Gerard J. P.; IJzerman, Adriaan P.; Heitman, Laura H.
err分享
err收藏

研究方向

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