Publications by authors named "Wiktor Beker"

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Synthetic connectivity, emergence, and self-regeneration in the network of prebiotic chemistry.
Agnieszka Wołos, Rafał Roszak, Anna Żądło-Dobrowolska, Wiktor Beker, Barbara Mikulak-Klucznik, Grzegorz Spólnik, Mirosław Dygas, Sara Szymkuć, Bartosz A Grzybowski

September 2020

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Retro-forward synthesis design and experimental validation of potent structural analogs of known drugs.
Ahmad Makkawi, Wiktor Beker, Agnieszka Wołos, Sabyasachi Manna, Rafał Roszak

Chem Sci· May 2025

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Hierarchical Reaction Logic Enables Computational Design of Complex Peptide Syntheses.
Karol Molga, Wiktor Beker, Rafał Roszak, Andrzej Czerwiński, Bartosz A Grzybowski

J Am Chem Soc· March 2025

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Active learning guides discovery of a champion four-metal perovskite oxide for oxygen evolution electrocatalysis.
Junseok Moon, Wiktor Beker, Marta Siek, Jiheon Kim, Hyeon Seok Lee

Nat Mater· January 2024

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Computational prediction of complex cationic rearrangement outcomes.
Tomasz Klucznik, Leonidas-Dimitrios Syntrivanis, Sebastian Baś, Barbara Mikulak-Klucznik, Martyna Moskal, Wiktor Beker

Nature· January 2024

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Closed-loop optimization of general reaction conditions for heteroaryl Suzuki-Miyaura coupling.
Nicholas H Angello, Vandana Rathore, Wiktor Beker, Agnieszka Wołos, Edward R Jira

Science· October 2022

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Machine Learning May Sometimes Simply Capture Literature Popularity Trends: A Case Study of Heterocyclic Suzuki-Miyaura Coupling.
Wiktor Beker, Rafał Roszak, Agnieszka Wołos, Nicholas H Angello, Vandana Rathore

J Am Chem Soc· March 2022

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Scaffold-Directed Face Selectivity Machine-Learned from Vectors of Non-covalent Interactions.
Martyna Moskal, Wiktor Beker, Sara Szymkuć, Bartosz A Grzybowski

Angew Chem Int Ed Engl· July 2021

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On-Nanoparticle Gating Units Render an Ordinary Catalyst Substrate- and Site-Selective.
Minju Kim, Miroslaw Dygas, Yaroslav I Sobolev, Wiktor Beker, Qiang Zhuang

J Am Chem Soc· February 2021

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Computational planning of the synthesis of complex natural products.
Barbara Mikulak-Klucznik, Patrycja Gołębiowska, Alison A Bayly, Oskar Popik, Tomasz Klucznik, Wiktor Beker

Nature· December 2020

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Computer-generated "synthetic contingency" plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir.
Sara Szymkuć, Ewa P Gajewska, Karol Molga, Agnieszka Wołos, Rafał Roszak, Wiktor Beker

Chem Sci· July 2020

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Bottom-Up Nonempirical Approach To Reducing Search Space in Enzyme Design Guided by Catalytic Fields.
Wiktor Beker, W Andrzej Sokalski

J Chem Theory Comput· May 2020

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Rapid and Accurate Prediction of p Values of C-H Acids Using Graph Convolutional Neural Networks.
Rafał Roszak, Wiktor Beker, Karol Molga, Bartosz A Grzybowski

J Am Chem Soc· October 2019

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Prediction of Major Regio-, Site-, and Diastereoisomers in Diels-Alder Reactions by Using Machine-Learning: The Importance of Physically Meaningful Descriptors.
Wiktor Beker, Ewa P Gajewska, Tomasz Badowski, Bartosz A Grzybowski

Angew Chem Int Ed Engl· March 2019

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Predicting substituent effects on activation energy changes by static catalytic fields.
Martyna Chojnacka, Mikolaj Feliks, Wiktor Beker, W Andrzej Sokalski

J Mol Model· December 2017

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Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants.
Wiktor Beker, Marc W van der Kamp, Adrian J Mulholland, W Andrzej Sokalski

J Chem Theory Comput· February 2017

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Physical Nature of Fatty Acid Amide Hydrolase Interactions with Its Inhibitors: Testing a Simple Nonempirical Scoring Model.
Wiktoria Giedroyć-Piasecka, Edyta Dyguda-Kazimierowicz, Wiktor Beker, Marco Mor, Alessio Lodola

J Phys Chem B· December 2014

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Low cost prediction of relative stabilities of hydrogen bonded complexes from atomic multipole moments for overly short intermolecular distances.
Wiktor Beker, Karol M Langner, Edyta Dyguda-Kazimierowicz, Mikołaj Feliks, W Andrzej Sokalski

J Comput Chem· August 2013

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Reactivity patterns of imidazole, oxazole, and thiazole as reflected by the polarization justified Fukui functions.
Wiktor Beker, Paweł Szarek, Ludwik Komorowski, Józef Lipiński

J Phys Chem A· February 2013

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