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tel: 22 55 26 559 e-mail: bgruza/at/chem.uw.edu.pl address: ul. Żwirki i Wigury 101 room: 1.45 Researchgate  https://orcid.org/0000-0002-8524-5300ResearchID |
Publications
| Bojarowski SA, Gruza B, Trzybiński D, Kamiński R, Hoser AA, Kumar P, Woźniak K, Dominiak PM New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations Acta Cryst. B78, 823-834, Published: 2022 [DOI: 10.1107/S2052520622008800] |
| Jha KK, Gruza B, Sypko A, Kumar P, Chodkiewicz ML, Dominiak PM Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Restructurization and Extension of UBDB J. Chem. Inf. Model., 62 (16), 3752–3765, Published: 2022 [DOI: 10.1021/acs.jcim.2c00144] |
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| Jha KK, Gruza B, Chodkiewicz ML, Jelsch Ch, Dominiak PM Refinements on electron diffraction data of β-glycine in MoPro: A quest for improved structure model Journal of Applied Crystallography 54, 1234-1243, Published: 2021 [DOI: 10.1107/S160057672100580X] |
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| Jha KK, Gruza B, Kumar P, Chodkiewicz ML, Dominiak PM TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B B76, 296-306, Published: 2020 [DOI: /10.1107/S2052520620002917] |
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| Gruza B, Chodkiewicz ML, Krzeszczakowska J, Dominiak PM Refinement of organic crystal structures with multipolar electron scattering factors Acta Crystallographica Section A 76, 92-109, Published: 2020 [DOI: 10.1107/S2053273319015304] |
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| Kumar P, Gruza B, Bojarowski SA, Dominiak PM Extension of the transferable aspherical pseudoatom data bank for the comparison of molecular electrostatic potentials in structure–activity studies Acta Crystallographica Section A 75, 398-408, Published: 2019 [DOI: 10.1107/S2053273319000482] |