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C

Christian Krämer

f. hoffmann-la roche ltd.

30H-index
122Paper Count
3.7KCitation Count
Published Papers 51
Publication Date
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Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization
errNature Communications
IF15.7
err2025-11-26
err0
errOAAI
errDavid F. Nippa; Kenneth Atz; Yannick Stenzhorn; Alex T. Müller; Andreas Tosstorff; Jörg Benz; Hayley Binch; Markus Bürkler; Achi Haider; Dominik Heer; Remo Hochstrasser; Christian Kramer; Michael Reutlinger; Petra Schneider; Thierry Shema; Andreas Topp; Alexander Walter; Matthias B. Wittwer; Jens Wolfard; Bernd Kuhn; Mario van der Stelt; Rainer E. Martin; Uwe Grether; Gisbert Schneider
errShare
errSave
The CASP 16 Experimental Protein–Ligand Datasets
errProteins: Structure, Function, and Bioinformatics
IF0
err2025-10-03
err0
PREAI
errAndreas Tosstorff; Markus G. Rudolph; Jörg Benz; Bernd Kuhn; Christian Kramer; May Sharpe; Chia-Ying Huang; Alexander Metz; Julien Hazemann; Daniel Ritz; Aengus Mac Sweeney; Michael K. Gilson
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errSave
Machine Learning-Assisted Iterative Screening for Efficient Detection of Drug Discovery Starting Points
errJournal of Medicinal Chemistry
IF6.8
err2025-07-14
err0
PREAI
errAlex T. Müller; Markus Hierl; Dominik Heer; Paul Westwood; Philippe Hartz; Bigna Wörsdörfer; Christian Kramer; Wolfgang Haap; Doris Roth; Michael Reutlinger
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errSave
The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-02-14
err0
PREAI
errKramer, Christian; Chodera, John; Damm-Ganamet, Kelly L.; Gilson, Michael K.; Guenther, Judith; Lessel, Uta; Lewis, Richard A.; Mobley, David; Nittinger, Eva; Pecina, Adam; Schapira, Matthieu; Walters, W. Patrick
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errSave
From mundane to surprising nonadditivity: drivers and impact on ML models
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2024-07-25
err0
PREAI
errGuasch, Laura; Maeder, Niels; Cumming, John G.; Kramer, Christian
errShare
errSave
Geometric deep learning-guided Suzuki reaction conditions assessment for applications in medicinal chemistry
errRSC MEDICINAL CHEMISTRY
IF3.6
err2024-01-01
err1
PREAI
errAtz, Kenneth; Nippa, David F.; Mueller, Alex T.; Jost, Vera; Anelli, Andrea; Reutlinger, Michael; Kramer, Christian; Martin, Rainer E.; Grether, Uwe; Schneider, Gisbert; Wuitschik, Georg
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errSave
Novel Indane-Containing NBTIs with Potent Anti-Gram-Negative Activity and Minimal hERG Inhibition
errACS MEDICINAL CHEMISTRY LETTERS
IF4
err2023-11-10
err4
PREAI
errCumming, John G.; Kreis, Lukas; Kuhne, Holger; Wermuth, Roger; Vercruysse, Maarten; Cantrill, Carina; Bissantz, Caterina; Qiu, Hongxia; Kramer, Christian; Andreotti, Daniele; Fossati, Giacomo
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errSave
Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens
errACS MEDICINAL CHEMISTRY LETTERS
IF4
err2023-06-22
err8
PREAI
errCumming, John G. G.; Kreis, Lukas; Kuehne, Holger; Wermuth, Roger; Vercruysse, Maarten; Kramer, Christian; Rudolph, Markus G. G.; Xu, Zhiheng
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errSave
A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2022-09-25
err22
PREAI
errTosstorff, Andreas; Rudolph, Markus G.; Cole, Jason C.; Reutlinger, Michael; Kramer, Christian; Schaffhauser, Herve; Nilly, Agnes; Flohr, Alexander; Kuhn, Bernd
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errSave
Selecting the Reaction Path in On-Surface Synthesis through the Electron Chemical Potential in Graphene
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-06-13
err3
PREAI
errKraus, Stefan; Herman, Alexander; Huttmann, Felix; Kramer, Christian; Amsharov, Konstantin; Tsukamoto, Shigeru; Wende, Heiko; Atodiresei, Nicolae; Michely, Thomas
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errSave
Observation of optical coherence in a disordered metal-molecule interface by coherent optical two-dimensional photoelectron spectroscopy
errPHYSICAL REVIEW B
IF3.7
err2022-05-10
err4
errOAAI
errAeschlimann, Martin; Brixner, Tobias; Cinchetti, Mirko; Feidt, Martin; Haag, Norman; Hensen, Matthias; Huber, Bernhard; Kenneweg, Tristan; Kollamana, Jobynson; Kramer, Christian; Pfeiffer, Walter; Ponzoni, Stefano; Stadtmuller, Benjamin; Thielen, Philip
errShare
errSave
What We Learned in 25 Years of Interactive Molecular Design Sessions
errCHEMMEDCHEM
IF3.4
err2021-08-10
err4
PREAI
errKuhn, Bernd; Haap, Wolfgang; Obst-Sander, Ulrike; Kramer, Christian; Stahl, Martin
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errSave
The Playbooks of Medicinal Chemistry Design Moves
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-02-01
err13
PREAI
errAwale, Mahendra; Hert, Jerome; Guasch, Laura; Riniker, Sereina; Kramer, Christian
errShare
errSave
Matched Molecular Series Analysis for ADME Property Prediction
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-05-05
err15
PREAI
errAwale, Mahendra; Riniker, Sereina; Kramer, Christian
errShare
errSave
Multiscale modeling of drug mechanism and safety
errDRUG DISCOVERY TODAY
IF7.5
err2020-03-01
err15
errOAAI
errZhang, Jitao David; Sach-Peltason, Lisa; Kramer, Christian; Wang, Ken; Ebeling, Martin
errShare
errSave
Nonadditivity Analysis
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2019-09-11
err14
PREAI
errKramer, Christian
errShare
errSave
mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2018-05-17
err69
errOAAI
errDalke, Andrew; Hert, Jerome; Kramer, Christian
errShare
errSave
Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA)
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2017-09-28
err55
errOAAI
errKramer, Christian; Ting, Attilla; Zheng, Hao; Hert, Jerome; Schindler, Torsten; Stahl, Martin; Robb, Graeme; Crawford, James J.; Blaney, Jeff; Montague, Shane; Leach, Andrew G.; Dossetter, Al G.; Griffen, Ed J.
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errSave
Matched Molecular Series: Measuring SAR Similarity
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2017-05-01
err6
PREAI
errEhmki, Emanuel S. R.; Kramer, Christian
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errSave
Discovery and Characterization of Diazenylaryl Sulfonic Acids as Inhibitors of Viral and Bacterial Neuraminidases
errFRONTIERS IN MICROBIOLOGY
IF4.5
err2017-02-15
err20
errOAAI
errHoffmann, Anja; Richter, Martina; von Grafenstein, Susanne; Walther, Elisabeth; Xu, Zhongli; Schumann, Lilia; Grienke, Ulrike; Mair, Christina E.; Kramer, Christian; Rollinger, Judith M.; Liedl, Klaus R.; Schmidtke, Michaela; Kirchmair, Johannes
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errSave

Research Directions

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Co-authors
Cooperation Journals
F
François Diederich
H-index: 116 · Papers: 1.5K
H
Harald Gießen
H-index: 97 · Papers: 844
M
Michael K. Gilson
H-index: 83 · Papers: 411
G
Gisbert Schneider
H-index: 82 · Papers: 634
T
Timothy Clark
H-index: 78 · Papers: 887
View more