List of works - Wiktor Beker

Bottom-up nonempirical approach reducing search space in enzyme design guided by catalytic fields

scientific article published on 13 April 2020

Closed-loop optimization of general reaction conditions for heteroaryl Suzuki-Miyaura coupling

scientific article published on 28 October 2022

Computational planning of the synthesis of complex natural products

scientific article published on 13 October 2020

Computational prediction of complex cationic rearrangement outcomes

scientific article published in Nature in November 2023

Computer-Assisted Planning of Hydroxychloroquine’s Syntheses Commencing from Inexpensive Substrates and Bypassing Patented Routes

article published in 2020

Computer-generated "synthetic contingency" plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir

scientific article published on 10 June 2020

Control and Switching of Charge-Selective Catalysis on Nanoparticles by Counterions

scientific article published on 2 July 2018

Low cost prediction of relative stabilities of hydrogen bonded complexes from atomic multipole moments for overly short intermolecular distances.

scientific article published on 21 May 2013

Physical Nature of Fatty Acid Amide Hydrolase Interactions with Its Inhibitors: Testing a Simple Nonempirical Scoring Model

scientific article published on 10 December 2014

Predicting substituent effects on activation energy changes by static catalytic fields

scientific article published on 22 December 2017

Prediction of major regio-, site-, and diastereoisomers¬ in Diels-Alder reactions using machine-learning: The importance of physically meaningful descriptors

scientific article published on 04 December 2018

Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants.

scientific article published on 19 January 2017

Rapid and Accurate Prediction of pKa Values of C-H Acids Using Graph Convolutional Neural Networks

scientific article published on 21 October 2019

Reactivity patterns of imidazole, oxazole, and thiazole as reflected by the polarization justified Fukui functions

scientific article published on 31 January 2013

Robust Predictive Power of the Electrostatic Term at Shortened Intermolecular Distances

Suggestions for second-pass anti-COVID-19 drugs based on the Artificial Intelligence measures of molecular similarity, shape and pharmacophore distribution

scientific article published on 17 April 2020

Synthetic connectivity, emergence, and self-regeneration in the network of prebiotic chemistry

scientific article

List of works by Wiktor Beker