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C

Christoph Grebner

Sanofi

14H指数
43论文数
990被引数
收录论文 22
发表时间
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Exploration and validation of large language models as tools for molecular optimization大型语言模型作为分子优化工具的探索与验证
errCommunications Chemistry
IF6.2
err2026-09-15
err0
errOAAI
errChristoph Grebner; Alejandro Corrochano-Navarro; Christian Buning; Hans Matter; María Méndez; Sven Ruf; Jan H. Griwatz; Elisabeth Speckmeier; Thorsten Sadowski; Jiří Vymětal; Saeed Moayedpour; Lorenzo Kogler-Anele; Ziv Bar-Joseph; Sven Jager; Gerhard Hessler
err分享
err收藏
Machine Learning Meets Pharmacokinetics: A Comparative Analysis of Predictive Models for Plasma Concentration-Time Profiles机器学习与药代动力学：血浆浓度-时间曲线预测模型的比较分析
errcpt: pharmacometrics & systems pharmacology
IF0
err2026-04-23
err0
errOAAI
errFelix Jost; Clemens Giegerich; Christoph Grebner; Hans Matter; Henrik Cordes
err分享
err收藏
A dihydrouracil CRBN ligand mitigates IMiD associated safety liabilities in heterobifunctional targeted protein degrader二氢尿嘧啶CRBN配体减轻了异双功能靶向蛋白降解物中IMiD相关的安全责任
errNature Communications
IF15.7
err2026-03-25
err0
errOAAI
errMonica C. Rodrigo-Brenni; Jasper C. Komen; Ghaith M. Hamza; Natacha Bohin; Tomas Adomavicius; Angelo Andres; Stefan Blaho; Ulf Börjesson; Gavin W. Collie; Gian Marco De Donatis; Frederik Eisele; Ning Gao; Andrea Gohlke; Christoph Grebner; Frida Gustafsson; Andreas Hock; Cecilia Kankkonen; Praveen Kumar; Emilyanne Leonard; Xin Li; Ruth Macdonald; Katja Madeyski-Bengtson; Eric Miele; Philip Nevin; Jeroen Overman; Fiona Pachl; Claudio Pathe; Matthew W. D. Perry; Christopher Phillips; Andy Pike; Ian Purvis; Timothy Rasmusson; Sophie Regan; Linda Reilly; Jonathan Rose; R. Ian Storer; Jingwen Wang; Xiang Zhai; Iacovos N. Michaelides; Kevin Moreau
err分享
err收藏
Upgrading Reliability in Molecular Property Prediction by Robust Quantification of Uncertainty from Machine Learning Models通过机器学习模型稳健的不确定性量化提升分子性质预测的可靠性
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-10-01
err0
PREAI
errKotter, Alex; Singh, Kanishka; Matter, Hans; Hessler, Gerhard; Grebner, Christoph
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
Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-09-05
err3
PREAI
errSauer, Susanne; Matter, Hans; Hessler, Gerhard; Grebner, Christoph
err分享
err收藏
Impact of Applicability Domains to Generative Artificial Intelligence
errACS OMEGA
IF4.3
err2023-06-12
err6
errOAAI
errLangevin, Maxime; Grebner, Christoph; Guessregen, Stefan; Sauer, Susanne; Li, Yi; Matter, Hans; Bianciotto, Marc
err分享
err收藏
Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methods通过将对接评分策略集成到生成性AI方法中，优化与蛋白质结合位点的相互作用
errFRONTIERS IN CHEMISTRY
IF4.2
err2022-10-19
err9
errOAAI
errSauer, Susanne; Matter, Hans; Hessler, Gerhard; Grebner, Christoph
err分享
err收藏
Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence使用可解释的人工智能解释真实世界药物设计数据集中的构效关系
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-01-26
err30
PREAI
errHarren, Tobias; Matter, Hans; Hessler, Gerhard; Rarey, Matthias; Grebner, Christoph
err分享
err收藏
Application of Deep Neural Network Models in Drug Discovery Programs
errCHEMMEDCHEM
IF3.4
err2021-10-18
err28
PREAI
errGrebner, Christoph; Matter, Hans; Kofink, Daniel; Wenzel, Jan; Schmidt, Friedemann; Hessler, Gerhard
err分享
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Automated De Novo Design in Medicinal Chemistry: Which Types of Chemistry Does a Generative Neural Network Learn?
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2020-03-05
err28
PREAI
errGrebner, Christoph; Matter, Hans; Plowright, Alleyn T.; Hessler, Gerhard
err分享
err收藏
Virtual Screening in the Cloud: How Big Is Big Enough?
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2019-11-04
err39
PREAI
errGrebner, Christoph; Malmerberg, Erik; Shewmaker, Andrew; Batista, Jose; Nicholls, Anthony; Sadowski, Jens
err分享
err收藏
PELE-MSM: A Monte Carlo Based Protocol for the Estimation of Absolute Binding Free Energies
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-10-07
err13
PREAI
errGilabert, Joan F.; Grebner, Christoph; Soler, Daniel; Lecina, Daniel; Municoy, Marti; Gracia Carmona, Oriol; Soliva, Robert; Packer, Martin J.; Hughes, Samantha J.; Tyrchan, Christian; Hogner, Anders; Guallar, Victor
err分享
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Exploring Binding Mechanisms in Nuclear Hormone Receptors by Monte Carlo and X-ray-derived Motions通过蒙特卡洛和x射线衍生运动探索核激素受体的结合机制
errBIOPHYSICAL JOURNAL
IF3.1
err2017-03-01
err18
errOAAI
errGrebner, Christoph; Lecina, Daniel; Gil, Victor; Ulander, Johan; Hansson, Pia; Dellsen, Anita; Tyrchan, Christian; Edman, Karl; Hogner, Anders; Guallar, Victor
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Enhancing backbone sampling in Monte Carlo simulations using internal coordinates normal mode analysis
errBIOORGANIC & MEDICINAL CHEMISTRY
IF3
err2016-10-01
err1
errOAAI
errGil, Victor A.; Lecina, Daniel; Grebner, Christoph; Guallar, Victor
err分享
err收藏
3D-Lab: a collaborative web-based platform for molecular modeling
errFUTURE MEDICINAL CHEMISTRY
IF3.4
err2016-08-31
err22
errOAAI
errGrebner, Christoph; Norrby, Magnus; Enstrom, Jonatan; Nilsson, Ingemar; Hogner, Anders; Henriksson, Jonas; Westin, Johan; Faramarzi, Farzad; Werner, Philip; Bostrom, Jonas
err分享
err收藏
Binding Mode and Induced Fit Predictions for Prospective Computational Drug Design
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2016-03-25
err27
PREAI
errGrebner, Christoph; Iegre, Jessica; Ulander, Johan; Edman, Karl; Hogner, Anders; Tyrchan, Christian
err分享
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Molecular Rift: Virtual Reality for Drug Designers
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2015-11-11
err88
PREAI
errNorrby, Magnus; Grebner, Christoph; Eriksson, Joakim; Bostrom, Jonas
err分享
err收藏
CAST: A New Program Package for the Accurate Characterization of Large and Flexible Molecular Systems
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2014-07-23
err6
PREAI
errGrebner, Christoph; Becker, Johannes; Weber, Daniel; Bellinger, Daniel; Tafipolski, Maxim; Brueckner, Charlotte; Engels, Bernd
err分享
err收藏
PathOpt-A Global Transition State Search Approach: Outline of Algorithm
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2013-05-04
err9
errOAAI
errGrebner, Christoph; Pason, Lukas P.; Engels, Bernd
err分享
err收藏

研究方向

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