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Borys Szefczyk · SciRah

Researcher profile · Semantic Scholar

Borys Szefczyk

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Borys Szefczyk — researcher profile on SciRah

h-index: 13
Works: 25
Citations: 535

Most-cited papers

Differential transition-state stabilization in enzyme catalysis: quantum chemical analysis of interactions in the chorismate mutase reaction and prediction of the optimal catalytic field.
Borys Szefczyk, A. Mulholland, K. Ranaghan, W. Sokalski
2004Journal of the American Chemical Society96 citations
Semantic Scholar
Transition state stabilization and substrate strain in enzyme catalysis: ab initio QM/MM modelling of the chorismate mutase reaction.
K. Ranaghan, L. Ridder, Borys Szefczyk, W. Sokalski +2 more
2004Organic and biomolecular chemistry88 citations
Semantic Scholar
Optimal methods for calculation of the amount of intermolecular electron transfer
Borys Szefczyk, W. Sokalski, J. Leszczynski
200245 citations
Semantic Scholar
Structure of alkylimidazolium-based ionic liquids at the interface with vacuum and water--a molecular dynamics study.
J. Konieczny, Borys Szefczyk
2015Journal of Physical Chemistry B39 citations
Semantic Scholar
Physical properties at the base for the development of an all-atom force field for ethylene glycol.
Borys Szefczyk, M. N. Cordeiro
2011Journal of Physical Chemistry B37 citations
Semantic Scholar
Structure of the hexagonal NaYF4 phase from first-principles molecular dynamics
Borys Szefczyk, Rafał Roszak, S. Roszak
201431 citations
Semantic Scholar
Geometries and Vertical Excitation Energies in Retinal Analogues Resolved at the CASPT2 Level of Theory: Critical Assessment of the Performance of CASSCF, CC2, and DFT Methods.
E. Walczak, Borys Szefczyk, T. Andruniów
2013Journal of Chemical Theory and Computation27 citations
Semantic Scholar
Molecular Dynamics Study of Hydrated Poly(ethylene oxide) Chains Grafted on Siloxane Surface
Zuzana Benková, Borys Szefczyk, M. N. Cordeiro
201124 citations
Semantic Scholar
Quantum chemical analysis of reaction paths in chorismate mutase: Conformational effects and electrostatic stabilization
Borys Szefczyk, F. Claeyssens, A. Mulholland, W. Sokalski
200722 citations
Semantic Scholar
Experimental and ab initio calculated structures of 2-aminoindane-2-phosphonic acid, a potent inhibitor of phenylalanine ammonia-lyase, and theoretical studies of its binding to the model enzyme structure
J. Zoń, Borys Szefczyk, W. Sawka-Dobrowolska, R. Gancarz +5 more
200420 citations
Semantic Scholar
Molecular dynamics simulations of pregelification mixtures for the production of imprinted xerogels.
M. Azenha, Borys Szefczyk, D. Loureiro, P. Kathirvel +2 more
2011Langmuir19 citations
Semantic Scholar
The Mechanism of Phosphoryl Transfer Reaction and the Role of Active Site Residues on the Basis of Ribokinase-Like Kinases
E. Dyguda, Borys Szefczyk, W. Sokalski
200414 citations Open access
Semantic Scholar
Physical nature of intermolecular interactions in [BMIM][PF6] ionic liquid.
Borys Szefczyk, W. Sokalski
2014Journal of Physical Chemistry B13 citations Open access
Semantic Scholar
Computational and experimental study of the effect of PEG in the preparation of damascenone-imprinted xerogels.
M. Azenha, Borys Szefczyk, D. Loureiro, P. Kathirvel +2 more
2013Langmuir12 citations
Semantic Scholar
Structure of the interface between water and self-assembled monolayers of neutral, anionic and cationic alkane thiols
Borys Szefczyk, R. Franco, J. A. Gomes, M. N. Cordeiro
201012 citations
Semantic Scholar
Parameterization and optimization of the menthol force field for molecular dynamics simulations
Mateusz Jasik, Borys Szefczyk
2016Journal of Molecular Modeling11 citations Open access
Semantic Scholar
Symmetrical imidazolium chloride based on (-)-menthol: synthesis, characterization, and theoretical model of the reaction.
J. Feder-Kubis, Borys Szefczyk, M. Kubicki
2015Journal of Organic Chemistry8 citations
Semantic Scholar
Excited‐state minima and emission energies of retinal chromophore analogues: Performance of CASSCF and CC2 methods as compared with CASPT2
Borys Szefczyk, Dawid Grabarek, E. Walczak, T. Andruniów
2017Journal of Computational Chemistry5 citations
Semantic Scholar
Ab initio multireference study of Hetero-Diels-Alder reaction of buta-1,3-diene with alkyl glyoxylates
Borys Szefczyk, T. Andruniów, W. Sokalski
2008Journal of Molecular Modeling4 citations
Semantic Scholar
Exploration of the reactive modelling of sol-gel polycondensation in the presence of templates.
M. Azenha, Borys Szefczyk
2019Soft Matter3 citations
Semantic Scholar
Towards understanding phosphonoacetaldehyde hydrolase: an alternative mechanism involving proton transfer that triggers P-C bond cleavage.
Borys Szefczyk
2008Chemical Communications3 citations
Semantic Scholar
(E)-Cinnamic Acid Analogues as Inhibitors of Phenylalanine Ammonia-Lyase and of Anthocyanin Biosynthesis
A. Kluczyk, Borys Szefczyk, N. Amrhein, J. Zoń
20052 citations
Semantic Scholar
Erratum to "Geometries and Vertical Excitation Energies in Retinal Analogues Resolved at the CASPT2 Level of Theory: Critical Assessment of the Performance of CASSCF, CC2, and DFT Methods".
E. Walczak, Borys Szefczyk, T. Andruniów
2014Journal of Chemical Theory and Computation0 citations
Semantic Scholar
Molecular dynamics of self-assembled monolayers of functionalized alkanethiols for protein adsorption
Borys Szefczyk, M. N. Cordeiro, J. A. Gomes
20090 citations
Semantic Scholar
On the influence of microsolvation by argon atoms on the electron affinity properties of water dimer.
Paweł Wielgus, R. Góra, Borys Szefczyk, S. Roszak +1 more
2006Journal of Chemical Physics0 citations
Semantic Scholar

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