SilicoPharm
Polypharmacological in silico screening platform for the next generation drugs

S. Podlewska and R. Kurczab
Mutual Support of Ligand- and Structure-Based Approaches—To What Extent We Can Optimize the Power of Predictive Model? Case Study of Opioid Receptors
Molecules, 26, 1607, 2021
docking in silico drug design discovery machine learning opioid receptors
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M. Wołczyk , M. Proszewska , Ł. Maziarka , M. Zięba , P. Wielopolski , R. Kurczab , and M. Śmieja
PluGeN: Multi-Label Conditional Generation From Pre-Trained Models
Arxiv, 2021
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D. Warszycki , Ł. Struski , M. Śmieja , R. Kafel , and R. Kurczab
Pharmacoprint: A Combination of a Pharmacophore Fingerprint and Artificial Intelligence as a Tool for Computer-Aided Drug Design
Journal of Chemical Information and Modeling, 61, 5054-5065, 2021
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S. Mordalski , A. Wojtuch , I. Podolak , R. Kurczab , and A. J. Bojarski
2D SIFt: a matrix of ligand-receptor interactions
Journal of Cheminformatics, 13, 66, 2021
fingerprints ligand-receptor interactions structural interaction fingerprints
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M. Wołczyk , J. Tabor , M. Śmieja , and S. Maszke
Biologically-Inspired Spatial Neural Networks
arXiv, 2019
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S. Podlewska and R. Kurczab
Polypharmacology – a challenge for current drug design approaches
Science, Technology and Innovation, 6, 19-23, 2019
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L. M. Evenseth , D. Warszycki , A. J. Bojarski , M. Gabrielsen , and I. Sylte
In silico methods for the discovery of orthosteric GABAB receptor compounds
Molecules, 24, 2019
gabab receptor ligand-based screening orthosteric binding site structure-based screening virtual screening
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