Center for Algorithmic and Robotized Synthesis

Enzymes as viscoelastic catalytic machines

Eyal Weinreb, John M. McBride, Marta Siek, Jacques Rougemont, Renaud Renault, Yoav Peleg, Tamar Unger, Shira Albeck, Yael Fridmann-Sirkis, Sofya Lushchekina, Joel L. Sussman, Bartosz A. Grzybowski, Giovanni Zocchi, Jean-Pierre Eckmann, Elisha Moses, Tsvi Tlusty [Nature Physics (2025)]

Hierarchical Reaction Logic Enables Computational Design of Complex Peptide Syntheses

Karol Molga, Wiktor Beker, Rafał Roszak, Andrzej Czerwiński, Bartosz A. Grzybowski [Journal of the American Chemical Society 147, 9, 7644-7662(2025)]

Retro-forward synthesis design and experimental validation of potent structural analogs of known drugs.

Ahmad Makkawi, Wiktor Beker, Agnieszka Wołos, Sabyasachi Manna, Rafał Roszak, Sara Szymkuć, Martyna Moskal, Aleksei Koshevarnikov, Karol Molga, Anna ŻądłoDobrowolska, Bartosz A. Grzybowski [Chemical Science. 2025, Accepted Manuscript.(2025)]

Estimation of multicomponent reactions yields from networks of mechanistic steps

Sara Szymkuc, Agnieszka Wolos, Rafal Roszak, Bartosz A. Grzybowski [Nature Communications. 15, 10286.(2024)]

Systematic, computational discovery of multicomponent and one-pot reactions

Rafal Roszak, Louis Gadina, Agnieszka Wolos, Ahmad Makkawi, Barbara Mikulak-Klucznik, Yasemin Bilgi, Karol Molga, Patrycja Golebiowska, Oskar Popik, Tomasz Klucznik, Sara Szymkuc, Martyna Moskal, Sebastian Bas, Rafal Frydrych, Jacek Mlynarski, Olena Vakuliuk, Daniel T. Gryko, Bartosz A. Grzybowski [Nature Communications. 15, 10285.(2024)]

Machine Learning Algorithm Guides Catalyst Choices for Magnesium-Catalyzed Asymmetric Reactions

Paulina Baczewska, Michal Kulczykowski, Bartosz Zambron, Joanna Jaszczewska-Adamczak, Zbigniew Pakulski, Rafal Roszak, Bartosz A. Grzybowski, Jacek Mlynarski [Angewandte Chemie International Edition 63, e202318487.(2024)]

Aerodynamically Levitated Droplets as Small-Scale Chemical Reactors and Liquid Microprinters

Yankai Jia, Yaroslav I. Sobolev, Olgierd Cybulski, Tomasz Klucznik, Cristobal Quintana, Juan Carlos Ahumada, Bartosz A. Grzybowski [Angewandte Chemie International Edition e202318038, (Early View)-(2024)]

Statistical Survey of Chemical and Geometric Patterns on Protein Surfaces as a Blueprint for Protein-Mimicking Nanoparticles

John M. McBride, Aleksei Koshevarnikov, Marta Siek, Bartosz A. Grzybowski, Tsvi Tlusty [Small Structures. 2400086(2024)]