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Frank M. Boeckler

Department of Pharmacy and Biochemistry

33H指数
95论文数
4.4K被引数
收录论文 69
发表时间
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Clinical In Silico Studies in Drug Development and Therapy: Simplified Guidance for Authors, Reviewers and Editors药物研发与治疗中的临床计算机模拟研究：面向作者、审稿人和编辑的简明指南
errDrug Design Development and Therapy
IF5.1
err2026-08-18
err0
errOAAI
errGeorgios D Panos; Frank M Boeckler
err分享
err收藏
False Friends in Fluorescence – Simple HPLC Evaluation of False Positive Fragment Hits in a DiFMUP Assay for Protein Tyrosine Phosphatase 1B荧光中的“假朋友”——通过简单HPLC评估蛋白酪氨酸磷酸酶1B的DiFMUP测定中假阳性片段命中
errDrug Design Development and Therapy
IF5.1
err2026-08-04
err0
errOAAI
errMartin Schwer; Sven R Aldea; Benedikt Masberg; Michael Laemmerhofer; Frank M Boeckler
err分享
err收藏
Chiral HPLC Separation of Phosphonothrixin and Phosphonate Derivatives and Electronic Circular Dichroism Characterization of the Isolated Enantiomers手性HPLC分离磷诺噻肟和磷酸盐衍生物及分离得到的对映体的电子圆二色谱表征
errElectrophoresis
IF2.5
err2026-07-10
err0
errOAAI
errMirna Maalouf; Maximilian Knab; Leon Gessner; Marc Engelhardt; Stella Friedrich; Harald Gross; Frank Boeckler; Chambers C. Hughes; Michael Lämmerhofer
err分享
err收藏
Characterization of the Second-Generation Covalent Fragment Library (CovLib Gen2): Thiol Reactivity Profiling and p53-Y220C Rescue第二代共价片段库（CovLib Gen2）的表征：巯基反应性分析和p53-Y220C修复
errdrug design; development and therapy
IF0
err2026-05-18
err0
errOAAI
errMartin Schwer; Sven R Aldea; Marc U Engelhardt; Jason Stahlecker; Janosch Rheinganz; Aaron Langkamp; Frank M Boeckler
err分享
err收藏
Covalent drug rescue of multiple p53 mutants by stabilizing vinyl sulfone fragments hints to a specific refolding mechanism for R282W共价药物通过稳定乙烯基砜片段对多种p53突变体进行修复，暗示了R282W的特异性重折叠机制
errProtein Science
IF5.2
err2026-05-15
err0
errOAAI
errJason Stahlecker; Theresa Klett; Robert Spiegel; Martin Schwer; Finn Mier; Sven Aldea; Benedikt Masberg; Michael Lämmerhofer; Thilo Stehle; Frank M. Böckler
err分享
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Expanding and Enhancing Neural Network-Based QM-AI Models for the Accurate Prediction of Halogen-π Interaction Energies in Protein Contexts基于神经网络的QM-AI模型扩展与增强，用于蛋白质背景下卤素-π相互作用能的准确预测
errJournal of Chemical Information and Modeling
IF5.3
err2026-04-14
err0
errOAAI
errMarc U. Engelhardt; Finn Mier; Markus O. Zimmermann; Frank M. Boeckler
err分享
err收藏
Probing Weak Halogen Bonding in Aqueous Solution在水中探测弱卤素键
errJournal of the American Chemical Society
IF15.6
err2026-04-01
err0
PREAI
errHerbst, Manuel A.; Wu, Leyun; Woordes, Yannik T.; Peintner, Stefan; Xin, Jian; Boeckler, Frank M.; Xu, Zhijian; Zhu, Weiliang; Navarro-Vazquez, Armando; Erdelyi, Mate
err分享
err收藏
Tamoxifen metabolites acting via BKCa orchestrate the dynamics of K+ and Ca2+ in breast cancer cells他莫昔芬代谢物通过BKCa调控乳腺癌细胞中K+和Ca2+的动态平衡。
errJournal of Biological Chemistry
IF3.9
err2025-12-06
err0
errOAAI
errSelina Maier; Werner Schroth; Finn Mier; Lucas Matt; Helmut Bischof; Aiden Tamaddon; Darko Stojkov; Lena Birkenfeld; Melanie Cruz Santos; Dominic Gross; Johanna Dahlen; Florian A. Büttner; Irina Bonzheim; Falko Fend; Hiltrud Brauch; Frank M. Boeckler; Matthias Schwab; Robert Lukowski
err分享
err收藏
A QM-AI Approach for the Acceleration of Accurate Assessments of Halogen-π Interactions by Training Neural Networks通过训练神经网络加速对卤素-π 相互作用的准确评估的qm-ai方法
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-11-01
err0
PREAI
errEngelhardt, Marc U.; Mier, Finn; Zimmermann, Markus O.; Boeckler, Frank M.
err分享
err收藏
Standards for Computational Methods in Drug Design and Discovery: Simplified Guidance for Authors and Reviewers药物设计与发现中计算方法的标准：作者和审稿人简明指南
errDrug Design; Development and Therapy
IF0
err2025-10-27
err0
errOAAI
errTamer M Ibrahim; Muzammal Hussain; Frank M Boeckler
err分享
err收藏
Benchmarking the Structure-Based Virtual Screening Performance of Wild-Type and Resistant PfDHFR Using Docking and Machine Learning Re-Scoring基于对接和机器学习重评分，对野生型和耐药性PfDHFR的结构化虚拟筛选性能进行基准测试
errdrug design development and therapy
IF0
err2025-08-15
err0
PREAI
errMenna S Hany; Nermin S Ahmed; Frank M Boeckler; Tamer M Ibrahim
err分享
err收藏
Design, Synthesis, and Molecular Evaluation of SNAr-Reactive N-(6-Fluoro-3-Nitropyridin-2-yl)Isoquinolin-3-Amines as Covalent USP7 Inhibitors Reveals an Unconventional Binding Mode设计、合成及分子评价：作为共价USP7抑制剂的SNAr反应性N-(6-氟-3-硝基吡啶-2-基)异喹啉-3-胺揭示了非传统的结合模式
errArchiv der Pharmazie
IF3.6
err2025-08-10
err0
errOAAI
errLarissa N. Ernst; Jason Stahlecker; Finn Mier; Ricardo A. M. Serafim; Valentin R. Wydra; Benedikt Masberg; Simon J. Jaag; Cornelius Knappe; Michael Lämmerhofer; Thilo Stehle; Matthias Gehringer; Frank M. Boeckler
err分享
err收藏
Halogen Bonding on Water-A Drop in the Ocean?
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-09-18
err0
PREAI
errEngelhardt, Marc U.; Zimmermann, Markus O.; Dammann, Marcel; Stahlecker, Jason; Poso, Antti; Kronenberger, Thales; Kunick, Conrad; Stehle, Thilo; Boeckler, Frank M.
err分享
err收藏
Principles and Applications of CF2X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2023-07-24
err11
errOAAI
errVaas, Sebastian; Zimmermann, Markus O.; Schollmeyer, Dieter; Stahlecker, Jason; Engelhardt, Marc U.; Rheinganz, Janosch; Drotleff, Bernhard; Olfert, Matthias; La''mmerhofer, Michael; Kramer, Markus; Stehle, Thilo; Boeckler, Frank M.
err分享
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In Silico Targeting of Fascin Protein for Cancer Therapy: Benchmarking, Virtual Screening and Molecular Dynamics Approaches
errMOLECULES
IF4.6
err2023-01-29
err3
errOAAI
errHassan, Heba H. A.; Ismail, Muhammad I.; Abourehab, Mohammed A. S.; Boeckler, Frank M.; Ibrahim, Tamer M.; Arafa, Reem K.
err分享
err收藏
Screening of a Halogen-Enriched Fragment Library Leads to Unconventional Binding Modes
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2022-10-26
err9
PREAI
errDammann, Marcel; Stahlecker, Jason; Zimmermann, Markus O.; Klett, Theresa; Rotzinger, Kilian; Kramer, Markus; Coles, Murray; Stehle, Thilo; Boeckler, Frank M.
err分享
err收藏
Discovery of Ircinianin Lactones B and C-Two New Cyclic Sesterterpenes from the Marine Sponge Ircinia wistarii
errMARINE DRUGS
IF5.4
err2022-08-19
err7
errOAAI
errMajer, Thomas; Bhattarai, Keshab; Straetener, Jan; Pohlmann, Justus; Cahill, Patrick; Zimmermann, Markus O.; Huebner, Marc P.; Kaiser, Marcel; Svenson, Johan; Schindler, Michael; Broetz-Oesterhelt, Heike; Boeckler, Frank M.; Gross, Harald
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Quadruple Target Evaluation of Diversity-Optimized Halogen-Enriched Fragments (HEFLibs) Reveals Substantial Ligand Efficiency for AP2-Associated Protein Kinase 1 (AAK1)
errFRONTIERS IN CHEMISTRY
IF4.2
err2022-02-02
err6
errOAAI
errDammann, Marcel; Kramer, Markus; Zimmermann, Markus O.; Boeckler, Frank M.
err分享
err收藏
Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C
errRSC MEDICINAL CHEMISTRY
IF3.6
err2022-01-01
err9
errOAAI
errStahlecker, Jason; Klett, Theresa; Schwer, Martin; Jaag, Simon; Dammann, Marcel; Ernst, Larissa N.; Braun, Michael B.; Zimmermann, Markus O.; Kramer, Markus; Lammerhofer, Michael; Stehle, Thilo; Coles, Murray; Boeckler, Frank M.
err分享
err收藏
Facilitating SARS CoV-2 RNA-Dependent RNA polymerase (RdRp) drug discovery by the aid of HCV NS5B palm subdomain binders: In silico approaches and benchmarking
errCOMPUTERS IN BIOLOGY AND MEDICINE
IF6.3
err2021-07-01
err17
errOAAI
errElghoneimy, Laila K.; Ismail, Muhammad I.; Boeckler, Frank M.; Azzazy, Hassan M. E.; Ibrahim, Tamer M.
err分享
err收藏

研究方向

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