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G

Gerhard Heßler

Universite Paris Saclay

27H指数
103论文数
2.9K被引数
收录论文 42
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
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Cover Feature: Nonstandard Factor VIIa Binding Mode Reveals S1 Pocket Plasticity in Trypsin-Like Proteases (ChemMedChem 3/2026)封面文章：非标准FVIIa结合模式揭示丝氨酸蛋白酶S1袋的柔韧性
errChemMedChem
IF3.4
err2026-02-11
err0
PREAI
errLaura Tesmer; Hans Matter; Otmar Klingler; Manfred Schudok; Gerhard Hessler; Ahmad Reza Mehdipour; Stefan Güssregen; Herman Schreuder; Gerhard Hummer
err分享
err收藏
Nonstandard Factor VIIa Binding Mode Reveals S1 Pocket Plasticity in Trypsin-Like Proteases非标准因子VIIa结合模式揭示了胰蛋白酶样蛋白酶中S1口袋的柔韧性
errChemMedChem
IF3.4
err2026-01-31
err0
PREAI
errLaura Tesmer; Hans Matter; Otmar Klingler; Manfred Schudok; Gerhard Hessler; Ahmad Reza Mehdipour; Stefan Güssregen; Herman Schreuder; Gerhard Hummer
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err收藏
HyperSBINN: A Hypernetwork-Enhanced Systems Biology-Informed Neural Network for Efficient Drug Cardiosafety AssessmentHyperSBINN：一种基于超网络增强的系统生物学信息神经网络，用于高效药物心脏安全性评估
errJournal of Computational Biology
IF1.6
err2026-01-01
err0
PREAI
errSoukarieh, Inass; Hessler, Gerhard; Minoux, Herve; Mohr, Marcel; Schmidt, Friedemann; Wenzel, Jan; Barbillon, Pierre; Gangloff, Hugo; Gloaguen, Pierre
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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
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A Warm Welcome to MedChem: The Frontiers in Medicinal Chemistry 2025欢迎来到药物化学：2025年药物化学前沿
errChemMedChem
IF3.4
err2025-08-25
err0
PREAI
errMatthias Schiedel; Marta Pinto; Andrea Unzue Lopez; Philipp Barbie; Felix Pape; Anika Tarasewicz; Gerhard Hessler; Peter Gmeiner; Christina Lamers; Matthias Gehringer
err分享
err收藏
Trivalent siRNA-Conjugates with Guanosine as ASGPR-Binder Show Potent Knock-Down In Vivo三价siRNA偶联物以鸟苷作为ASGPR结合剂显示出体内强大的敲降效果
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2025-03-07
err0
PREAI
errHofmeister, Armin; Jahn-Hofmann, Kerstin; Brunner, Bodo; Helms, Mike; Metz-Weidmann, Christiane; Poeverlein, Christoph; Zech, Gernot; Li, Ziyu; Hessler, Gerhard; Schreuder, Herman; Elshorst, Bettina; Krack, Arne; Kurz, Michael; Heubel, Christoph; Scheidler, Sabine
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err收藏
We are MedChem: The Frontiers in Medicinal Chemistry 2024我们是MedChem: 药物化学2024的前沿
errCHEMMEDCHEM
IF3.4
err2024-09-23
err0
PREAI
errSchiedel, Matthias; Barbie, Philipp; Pape, Felix; Pinto, Marta; Lopez, Andrea Unzue; Mendez, Maria; Hessler, Gerhard; Merk, Daniel; Gehringer, Matthias; Lamers, Christina
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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
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Introduction to the themed collection on 'AI in Medicinal Chemistry'
errRSC MEDICINAL CHEMISTRY
IF3.6
err2024-01-01
err0
PREAI
errZhang, Jian; Engkvist, Ola; Hessler, Gerhard
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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
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err收藏
Back in Person: Frontiers in Medicinal Chemistry 2023
errCHEMMEDCHEM
IF3.4
err2023-07-24
err1
errOAAI
errGehringer, Matthias; Pape, Felix; Mendez, Maria; Barbie, Philipp; Unzue Lopez, Andrea; Lefranc, Julien; Klingler, Franca-Maria; Hessler, Gerhard; Langer, Thierry; Diamanti, Eleonora; Schiedel, Matthias
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Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methods
errFRONTIERS IN CHEMISTRY
IF4.2
err2022-10-19
err9
errOAAI
errSauer, Susanne; Matter, Hans; Hessler, Gerhard; Grebner, Christoph
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CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-findingCACHE (计算命中发现实验的关键评估): 一项公私合作伙伴关系基准计划，旨在开发命中发现的计算方法
errNATURE REVIEWS CHEMISTRY
IF51.7
err2022-02-15
err38
errOAAI
errAckloo, Suzanne; Al-awar, Rima; Amaro, Rommie E.; Arrowsmith, Cheryl H.; Azevedo, Hatylas; Batey, Robert A.; Bengio, Yoshua; Betz, Ulrich A. K.; Bologa, Cristian G.; Chodera, John D.; Cornell, Wendy D.; Dunham, Ian; Ecker, Gerhard F.; Edfeldt, Kristina; Edwards, Aled M.; Gilson, Michael K.; Gordijo, Claudia R.; Hessler, Gerhard; Hillisch, Alexander; Hogner, Anders; Irwin, John J.; Jansen, Johanna M.; Kuhn, Daniel; Leach, Andrew R.; Lee, Alpha A.; Lessel, Uta; Morgan, Maxwell R.; Moult, John; Muegge, Ingo; Oprea, Tudor, I; Perry, Benjamin G.; Riley, Patrick; Rousseaux, Sophie A. L.; Saikatendu, Kumar Singh; Santhakumar, Vijayaratnam; Schapira, Matthieu; Scholten, Cora; Todd, Matthew H.; Vedadi, Masoud; Volkamer, Andrea; Willson, Timothy M.
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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
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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
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err收藏
The PROTACtable genome可替代的基因组
errNATURE REVIEWS DRUG DISCOVERY
IF101.8
err2021-07-20
err143
PREAI
errSchneider, Melanie; Radoux, Chris J.; Hercules, Andrew; Ochoa, David; Dunham, Ian; Zalmas, Lykourgos-Panagiotis; Hessler, Gerhard; Ruf, Sven; Shanmugasundaram, Veerabahu; Hann, Michael M.; Thomas, Pam J.; Queisser, Markus A.; Benowitz, Andrew B.; Brown, Kris; Leach, Andrew R.
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Using Graph Databases to Investigate Trends in Structure-Activity Relationship Networks使用图数据库研究结构-活动关系网络中的趋势
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-11-27
err3
PREAI
errMatter, Hans; Buning, Christian; Stefanescu, Dan Dragos; Ruf, Sven; Hessler, Gerhard
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Quantum-mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges?
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2020-10-20
err10
errOAAI
errTielker, Nicolas; Eberlein, Lukas; Hessler, Gerhard; Schmidt, K. Friedemann; Guessregen, Stefan; Kast, Stefan M.
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Automated Design of Macrocycles for Therapeutic Applications: From Small Molecules to Peptides and Proteins
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2020-10-05
err16
errOAAI
errSindhikara, Dan; Wagner, Michael; Gkeka, Paraskevi; Guessregen, Stefan; Tiwari, Garima; Hessler, Gerhard; Yapici, Engin; Li, Ziyu; Evers, Andreas
err分享
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研究方向

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合作学者
合作期刊
Y
Yoshua Bengio
H 指数: 183 · 论文数: 1.3K
C
C.H. Arrowsmith
H 指数: 112 · 论文数: 3.1K
T
Timothy M. Willson
H 指数: 110 · 论文数: 418
G
Gerhard Hummer
H 指数: 110 · 论文数: 730
张建 封面图
张建 (Jian Zhang)
H 指数: 99 · 论文数: 1.6K
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