Martin Šícho

12PUBLICATIONS
36CO-AUTHORS
Computational chemistryCheminformatics and quantitative structure-activity relationshipsBioinformatic methods developmentBiomolecular modelling and designComputer aided design
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Publications (12)

|Jul 10, 2026
Automated Parallel Synthesis Accelerates Virtual Screening Hit Discovery.

|Nov 12, 2025
Combining AlphaFold with Focused Virtual Library Design in the Development of Novel CCR2 and CCR5 Antagonists.

Khaled Essa, Kian Noorman van der Dussen, Yao Yao

|Oct 14, 2025
TEMPL: A Template-Based Protein-Ligand Pose Prediction Baseline.

Jozef Fülöp, Martin Šícho, Wim Dehaen

|Mar 29, 2025
Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug design.

Alan Kai Hassen, Martin Šícho, Yorick J van Aalst

|Nov 15, 2024
QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool.

Helle W van den Maagdenberg, Martin Šícho, David Alencar Araripe

|Jun 05, 2023
DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space.

Martin Šícho, Sohvi Luukkonen, Helle W van den Maagdenberg

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Frequent Collaborators

6 joint publications

Gerard J P van Westen

5 joint publications

Johannes Kirchmair

4 joint publications

Christina de Bruyn Kops

4 joint publications

Conrad Stork