logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
delete
arrow
返回
M

Matthias Rarey

university of hamburg

57H指数
266论文数
1.7W被引数
收录论文 145
发表时间
logo
Enabling Automatic Generation of Protein–Ligand Complex Data Sets with Atomistic Detail实现具有原子级细节的蛋白质-配体复合物数据集的自动生成
errJournal of Chemical Information and Modeling
IF5.3
err2026-05-08
err0
errOAAI
errTorben Gutermuth; Emanuel S. R. Ehmki; Florian Flachsenberg; Patrick Penner; Sophia M. N. Hönig; Tobias Harren; Matthias Rarey
err分享
err收藏
Guiding Similarity Search in Chemical Fragment Spaces with Weighted Fingerprints在化学片段空间中使用加权指纹引导相似性搜索
errJournal of Chemical Information and Modeling
IF5.3
err2026-02-10
err0
errOAAI
errJustin Lübbers; Malte Schokolowski; Uta Lessel; Alexander Weber; Matthias Rarey
err分享
err收藏
ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity Data
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2026-01-01
err0
PREAI
errEhmki, Emanuel S. R.; Gutermuth, Torben; Harren, Tobias; Kurtz, Stefan; Rarey, Matthias
err分享
err收藏
A bottom-up approach to find lead compounds in expansive chemical spaces一种自下而上的方法，用于在广阔的化学空间中寻找先导化合物
errCommunications Chemistry
IF6.2
err2025-08-01
err0
errOAAI
errÁlvaro Serrano-Morrás; Andrea Bertran-Mostazo; Marina Miñarro-Lleonar; Arnau Comajuncosa-Creus; Adrià Cabello; Carme Labranya; Carmen Escudero; Tian V. Tian; Inna Khutorianska; Dmytro S. Radchenko; Yurii S. Moroz; Lucas Defelipe; David Ruiz-Carrillo; Maria Garcia-Alai; Robert Schmidt; Matthias Rarey; Patrick Aloy; Carles Galdeano; Jordi Juárez-Jiménez; Xavier Barril
err分享
err收藏
Correction: SAVI Space—combinatorial encoding of the billion-size synthetically accessible virtual inventoryCorrection: SAVI空间——合成可及虚拟库存十亿规模的组合编码
errScientific Data
IF6.9
err2025-07-31
err0
errOAAI
errMalte Korn; Philip Judson; Raphael Klein; Christian Lemmen; Marc C. Nicklaus; Matthias Rarey
err分享
err收藏
ProteinsPlus: a publicly available resource for protein structure miningProteinsPlus：一个公开可用的蛋白质结构挖掘资源
errNUCLEIC ACIDS RESEARCH
IF13.1
err2025-05-06
err0
errOAAI
errEhrt, Christiane; Schulze, Thorben; Graef, Joel; Diedrich, Konrad; Pletzer-Zelgert, Jonathan; Rarey, Matthias
err分享
err收藏
Exploring common mechanisms of adverse drug reactions and disease phenotypes through network-based analysis通过网络分析方法探索不良药物反应和疾病表型的共同机制
errCELL REPORTS METHODS
IF4.5
err2025-02-01
err1
errOAAI
errFiroozbakht, Farzaneh; Elkjaer, Maria Louise; Handy, Diane E.; Wang, Rui-Sheng; Chervontseva, Zoe; Rarey, Matthias; Loscalzo, Joseph; Baumbach, Jan; Tsoy, Olga
err分享
err收藏
Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2024-12-04
err0
errOAAI
errHoenig, Sophia M. N.; Gutermuth, Torben; Ehrt, Christiane; Lemmen, Christian; Rarey, Matthias
err分享
err收藏
Modern machine-learning for binding affinity estimation of protein-ligand complexes: Progress, opportunities, and challenges
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2024-06-11
err2
PREAI
errHarren, Tobias; Gutermuth, Torben; Grebner, Christoph; Hessler, Gerhard; Rarey, Matthias
err分享
err收藏
User-centric design of a 3D search interface for protein-ligand complexes以用户为中心的蛋白质-配体复合物3D搜索界面设计
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2024-05-30
err1
errOAAI
errDiedrich, Konrad; Ehrt, Christiane; Graef, Joel; Poppinga, Martin; Ritter, Norbert; Rarey, Matthias
err分享
err收藏
SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2024-03-17
err1
errOAAI
errHoenig, Sophia M. N.; Flachsenberg, Florian; Ehrt, Christiane; Neumann, Alexander; Schmidt, Robert; Lemmen, Christian; Rarey, Matthias
err分享
err收藏
Database-Driven Identification of Structurally Similar Protein-Protein Interfaces
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-03-12
err1
errOAAI
errGraef, Joel; Ehrt, Christiane; Reim, Thorben; Rarey, Matthias
err分享
err收藏
Enhanced Calculation of Property Distributions in Chemical Fragment Spaces
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-03-11
err1
errOAAI
errLu''bbers, Justin; Lessel, Uta; Rarey, Matthias
err分享
err收藏
Redocking the PDB
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-12-18
err10
PREAI
errFlachsenberg, Florian; Ehrt, Christiane; Gutermuth, Torben; Rarey, Matthias
err分享
err收藏
Full Modification Control over Retrosynthetic Routes for Guided Optimization of Lead Structures
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-11-01
err2
PREAI
errDolfus, Uschi; Briem, Hans; Gutermuth, Torben; Rarey, Matthias
err分享
err收藏
Searching similar local 3D micro-environments in protein structure databases with MicroMiner使用MicroMiner在蛋白质结构数据库中搜索相似的局部3D微环境
errBRIEFINGS IN BIOINFORMATICS
IF7.7
err2023-10-13
err3
errOAAI
errSieg, Jochen; Rarey, Matthias
err分享
err收藏
School of cheminformatics in Latin America拉丁美洲的化学信息学学院
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2023-09-19
err2
errOAAI
errGonzalez-Ponce, Karla; Andrade, Carolina Horta; Hunter, Fiona; Kirchmair, Johannes; Martinez-Mayorga, Karina; Medina-Franco, Jose L.; Rarey, Matthias; Tropsha, Alexander; Varnek, Alexandre; Zdrazil, Barbara
err分享
err收藏
PoseEdit: enhanced ligand binding mode communication by interactive 2D diagramsPoseEdit: 通过交互式2D图增强配体结合模式通信
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2023-07-29
err40
errOAAI
errDiedrich, Konrad; Krause, Bennet; Berg, Ole; Rarey, Matthias
err分享
err收藏
Navigating large chemical spaces in early-phase drug discovery
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2023-06-01
err20
errOAAI
errKorn, Malte; Ehrt, Christiane; Ruggiu, Fiorella; Gastreich, Marcus; Rarey, Matthias
err分享
err收藏
Binding Site Detection Remastered: Enabling Fast, Robust, and Reliable Binding Site Detection and Descriptor Calculation with DoGSite3
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-05-02
err42
PREAI
errGraef, Joel; Ehrt, Christiane; Rarey, Matthias
err分享
err收藏

研究方向

暂无研究方向
合作学者
合作期刊
J
Joseph Loscalzo
H 指数: 141 · 论文数: 1.0K
T
Thomas Lengauer
H 指数: 84 · 论文数: 706
K
Kenneth M. Merz
H 指数: 83 · 论文数: 691
O
Olivier Michielin
H 指数: 83 · 论文数: 494
A
Alexander Tropsha
H 指数: 82 · 论文数: 580
查看更多