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ORCIDJournal of Computer-Aided Molecular Design, Volume 39
Volume 39, Number 1, December 2025
- J. Blumenstein, H. Dostálová, L. Rucká, V. Stepánek, T. Busche, J. Kalinowski, M. Pátek, Ivan Barvík
:
Promoter recognition specificity of Corynebacterium glutamicum stress response sigma factors σD and σH deciphered using computer modeling and point mutagenesis. 1 - Sophia M. N. Hönig, Torben Gutermuth, Christiane Ehrt, Christian Lemmen, Matthias Rarey:
Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays. 2 - Alexander Kensert, Gert Desmet, Deirdre Cabooter:
MolGraph: a Python package for the implementation of molecular graphs and graph neural networks with TensorFlow and Keras. 3 - Menghan Guo, Zengpeng Li, Xuejin Deng, Ding Luo, Jingyi Yang, Yingjun Chen, Weiwei Xue:
ConoDL: a deep learning framework for rapid generation and prediction of conotoxins. 4 - Siddharth Yadav, Swati Rana, Manish Manish, Sohini Singh, Andrew M. Lynn, Puniti Mathur:
In silico design of dehydrophenylalanine containing peptide activators of glucokinase using pharmacophore modelling, molecular dynamics and machine learning: implications in type 2 diabetes. 5
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