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Journal Articles
- 2024
[j6]Noah Kleinschmidt, Thomas Lemmin:
BuildAMol: a versatile Python toolkit for fragment-based molecular design. J. Cheminformatics 16(1): 104 (2024)- 2020
- [j5]Hussein Hassan-Harrirou, Ce Zhang, Thomas Lemmin
:
RosENet: Improving Binding Affinity Prediction by Leveraging Molecular Mechanics Energies with an Ensemble of 3D Convolutional Neural Networks. J. Chem. Inf. Model. 60(6): 2791-2802 (2020) - [j4]Nezihe Merve Gürel, Kaan Kara, Alen Stojanov, Tyler M. Smith, Thomas Lemmin, Dan Alistarh, Markus Püschel, Ce Zhang:
Compressive Sensing Using Iterative Hard Thresholding With Low Precision Data Representation: Theory and Applications. IEEE Trans. Signal Process. 68: 4268-4282 (2020) - 2019
- [j3]Thomas Lemmin, Cinque S. Soto:
Glycosylator: a Python framework for the rapid modeling of glycans. BMC Bioinform. 20(1): 513:1-513:7 (2019) - 2015
- [j2]Christophe Bovigny, Giorgio Tamò, Thomas Lemmin, Nicolas Maïno, Matteo Dal Peraro:
LipidBuilder: A Framework To Build Realistic Models for Biological Membranes. J. Chem. Inf. Model. 55(12): 2491-2499 (2015) - 2013
- [j1]Thomas Lemmin, Cinque S. Soto, Graham Clinthorne, William F. DeGrado, Matteo Dal Peraro:
Assembly of the Transmembrane Domain of E. coli PhoQ Histidine Kinase: Implications for Signal Transduction from Molecular Simulations. PLoS Comput. Biol. 9(1) (2013)
Conference and Workshop Papers
- 2021
- [c1]Leonel Aguilar Melgar, David Dao, Shaoduo Gan, Nezihe Merve Gürel, Nora Hollenstein, Jiawei Jiang, Bojan Karlas, Thomas Lemmin, Tian Li, Yang Li, Susie Xi Rao, Johannes Rausch, Cédric Renggli, Luka Rimanic, Maurice Weber, Shuai Zhang, Zhikuan Zhao, Kevin Schawinski, Wentao Wu, Ce Zhang:
Ease.ML: A Lifecycle Management System for Machine Learning. CIDR 2021
Coauthor Index
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