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C

Christofer S. Tautermann

Boehringer Ingelheim

37H指数
112论文数
4.2K被引数
收录论文 57
发表时间
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Predicting Pharmacokinetics in Rats Using Machine Learning: A Comparative Study Between Empirical, Compartmental, and PBPK-Based Approaches
errCTS-CLINICAL AND TRANSLATIONAL SCIENCE
IF2.8
err2025-03-01
err0
errOAAI
errWalter, Moritz; Aljayyoussi, Ghaith; Gerner, Bettina; Rapp, Hermann; Tautermann, Christofer S.; Balazki, Pavel; Skalic, Miha; Borghardt, Jens M.; Humbeck, Lina
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Micellar Solvent Accessibility of Esterified Polyoxyethylene Chains as Crucial Element of Polysorbate Oxidation: A Density Functional Theory, Molecular Dynamics Simulation and Liquid Chromatography/Mass Spectrometry Investigation胶束溶剂可接近性作为聚山梨酯氧化关键因素：酯化聚氧乙烯链的密度泛函理论、分子动力学模拟和液相色谱/质谱研究
errMOLECULAR PHARMACEUTICS
IF4.5
err2025-02-03
err0
errOAAI
errWeber, Johanna; Pedri, Leonardo; Peters, Luis P.; Quoika, Patrick K.; Dinu, Dennis F.; Liedl, Klaus R.; Tautermann, Christofer S.; Diederichs, Tim
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Structural basis of the mechanism and inhibition of a human ceramide synthase
errNATURE STRUCTURAL & MOLECULAR BIOLOGY
IF10.1
err2024-11-11
err0
errOAAI
errPascoa, Tomas C.; Pike, Ashley C. W.; Tautermann, Christofer S.; Chi, Gamma; Traub, Michael; Quigley, Andrew; Chalk, Rod; Stefanic, Sasa; Thamm, Sven; Pautsch, Alexander; Carpenter, Elisabeth P.; Schnapp, Gisela; Sauer, David B.
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Estimation of Electrostatic Interaction Energies on a Trapped-Ion Quantum Computer
errACS CENTRAL SCIENCE
IF10.4
err2024-03-26
err2
errOAAI
errOllitrault, Pauline J.; Loipersberger, Matthias; Parrish, Robert M.; Erhard, Alexander; Maier, Christine; Sommer, Christian; Ulmanis, Juris; Monz, Thomas; Gogolin, Christian; Tautermann, Christofer S.; Anselmetti, Gian-Luca R.; Degroote, Matthias; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael
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Fault-Tolerant Quantum Algorithm for Symmetry-Adapted Perturbation Theory
errPRX QUANTUM
IF11
err2024-03-04
err4
errOAAI
errCortes, Cristian L.; Loipersberger, Matthias; Parrish, Robert M.; Morley-Short, Sam; Pol, William; Sim, Sukin; Steudtner, Mark; Tautermann, Christofer S.; Degroote, Matthias; Moll, Nikolaj; Santagati, Raffaele; Streif, Michael
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Drug design on quantum computers
errNATURE PHYSICS
IF18.4
err2024-03-04
err18
PREAI
errSantagati, Raffaele; Aspuru-Guzik, Alan; Babbush, Ryan; Degroote, Matthias; Gonzalez, Leticia; Kyoseva, Elica; Moll, Nikolaj; Oppel, Markus; Parrish, Robert M.; Rubin, Nicholas C.; Streif, Michael; Tautermann, Christofer S.; Weiss, Horst; Wiebe, Nathan; Utschig-Utschig, Clemens
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Towards holistic Compound Quality Scores: Extending ligand efficiency indices with compound pharmacokinetic characteristics
errDRUG DISCOVERY TODAY
IF7.5
err2023-11-01
err7
errOAAI
errTautermann, Christofer S.; Borghardt, Jens M.; Pfau, Roland; Zentgraf, Matthias; Weskamp, Nils; Sauer, Achim
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Discovery of a Novel Potent and Selective HSD17B13 Inhibitor, BI-3231, a Well-Characterized Chemical Probe Available for Open Science
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2023-02-02
err12
errOAAI
errThamm, Sven; Willwacher, Marina K.; Aspnes, Gary E.; Bretschneider, Tom; Brown, Nicholas F.; Buschbom-Helmke, Silke; Veser, Thomas; Gargano, Emanuele M.; Grabowski, Daniel; Hoenke, Christoph; Matera, Damian; Mueck, Katja; Peters, Stefan; Reindl, Sophia; Riether, Doris; Schmid, Matthias; Tautermann, Christofer S.; Teitelbaum, Aaron M.; Truenkle, Cornelius; Winter, Martin; Fox, Thomas; Wortmann, Lars
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BIreactive: Expanding the Scope of Reactivity Predictions to Propynamides
errPHARMACEUTICALS
IF4.8
err2023-01-12
err4
errOAAI
errHermann, Markus R.; Tautermann, Christofer S.; Sieger, Peter; Grundl, Marc A.; Weber, Alexander
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Efficient quantum computation of molecular forces and other energy gradients分子力及其他能量梯度的高效量子计算
errPHYSICAL REVIEW RESEARCH
IF4.2
err2022-12-26
err25
errOAAI
errO'Brien, Thomas E.; Streif, Michael; Rubin, Nicholas C.; Santagati, Raffaele; Su, Yuan; Huggins, William J.; Goings, Joshua J.; Moll, Nikolaj; Kyoseva, Elica; Degroote, Matthias; Tautermann, Christofer S.; Lee, Joonho; Berry, Dominic W.; Wiebe, Nathan; Babbush, Ryan
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Reliably assessing the electronic structure of cytochrome P450 on today's classical computers and tomorrow's quantum computers
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2022-09-12
err42
errOAAI
errGoings, Joshua J.; White, Alec; Lee, Joonho; Tautermann, Christofer S.; Degroote, Matthias; Gidney, Craig; Shiozaki, Toru; Babbush, Ryan; Rubin, Nicholas C.
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Covalent inhibitor reactivity prediction by the electrophilicity index-in and out of scope
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2020-10-05
err13
PREAI
errHermann, Markus R.; Pautsch, Alexander; Grundl, Marc A.; Weber, Alexander; Tautermann, Christofer S.
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BIreactive: A Machine-Learning Model to Estimate Covalent Warhead Reactivity
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-04-06
err35
PREAI
errPalazzesi, Ferruccio; Hermann, Markus R.; Grundl, Marc A.; Pautsch, Alexander; Seeliger, Daniel; Tautermann, Christofer S.; Weber, Alexander
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Second M3 muscarinic receptor binding site contributes to bronchoprotection by tiotropium
errBRITISH JOURNAL OF PHARMACOLOGY
IF7.7
err2019-07-02
err7
errOAAI
errKistemaker, Loes E. M.; Elzinga, Carolina R. S.; Tautermann, Christofer S.; Pieper, Michael P.; Seeliger, Daniel; Alikhil, Suraya; Schmidt, Martina; Meurs, Herman; Gosens, Reinoud
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A Fast Ab Initio Predictor Tool for Covalent Reactivity Estimation of Acrylamides
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2019-06-27
err30
PREAI
errPalazzesi, Ferruccio; Grundl, Marc A.; Pautsch, Alexander; Weber, Alexander; Tautermann, Christofer S.
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Enhancing Drug Residence Time by Shielding of Intra-Protein Hydrogen Bonds: A Case Study on CCR2 Antagonists
errACS MEDICINAL CHEMISTRY LETTERS
IF4
err2019-02-07
err11
errOAAI
errMagarkar, Aniket; Schnapp, Gisela; Apel, Anna-Katharina; Seeliger, Daniel; Tautermann, Christofer S.
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Engineering Salt Bridge Networks between Transmembrane Helices Confers Thermostability in G-Protein-Coupled Receptors
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-10-25
err8
errOAAI
errGhosh, Soumadwip; Bierig, Tobias; Lee, Sangbae; Jana, Suvamay; Loehle, Adelheid; Schnapp, Gisela; Tautermann, Christofer S.; Vaidehi, Nagarajan
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Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2018-09-12
err32
PREAI
errTautermann, Christofer S.; Binder, Florian; Buettner, Frank H.; Eickmeier, Christian; Fiegen, Dennis; Gross, Ulrike; Grundl, Marc A.; Heilker, Ralf; Hobson, Scott; Hoerer, Stefan; Luippold, Andreas; Mack, Volker; Montel, Florian; Peters, Stefan; Bhattacharya, Supriyo; Vaidehi, Nagarajan; Schnapp, Gisela; Thamm, Sven; Zeeb, Markus
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Late-Stage Functionalization of Drug-Like Molecules Using Diversinates使用Diversinates对类药物分子进行后期功能化
errCHEMMEDCHEM
IF3.4
err2018-04-23
err32
PREAI
errKuttruff, Christian A.; Haile, Margit; Kraml, Johannes; Tautermann, Christofer S.
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Identifying Functional Hotspot Residues for Biased Ligand Design in G-Protein-Coupled Receptors
errMOLECULAR PHARMACOLOGY
IF3
err2018-04-01
err48
errOAAI
errNivedha, Anita K.; Tautermann, Christofer S.; Bhattacharya, Supriyo; Lee, Sangbae; Casarosa, Paola; Kollak, Ines; Kiechle, Tobias; Vaidehi, Nagarajan
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研究方向

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合作学者
合作期刊
A
Alán Aspuru‐Guzik
H 指数: 114 · 论文数: 939
M
Martin J. Lohse
H 指数: 100 · 论文数: 541
G
Graeme Milligan
H 指数: 96 · 论文数: 777
P
Patrick M. Sexton
H 指数: 90 · 论文数: 1.7K
M
Mario J. Molina
H 指数: 82 · 论文数: 429
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