Malgorzata Biczysko
16PUBLICATIONS
27CO-AUTHORS
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Publications (16)
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|Oct 17, 2025
AQuaRef: machine learning accelerated quantum refinement of protein structures.Roman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe
|Jun 25, 2025
Reliable Modeling of Anharmonic Spectra Line-Shapes from VPT2 and Hybrid QM Models: IR Spectrum of Uracil as a Test Case.Ruiqin Xu, Qin Yang, Julien Bloino
|Oct 18, 2024
Describing the Disulfide Bond: From the Density Functional Theory and Back through the "Lego Brick" Approach.Silvia Alessandrini, Hexu Ye, Malgorzata Biczysko
|Oct 01, 2024
Anisole-Water and Anisole-Ammonia Complexes in Ground and Excited (S1) States: A Multiconfigurational Symmetry-Adapted Perturbation Theory (SAPT) Study.Agnieszka Krzemińska, Malgorzata Biczysko, Katarzyna Pernal
|Apr 29, 2024
Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers.Ruiqin Xu, Zhongming Jiang, Qin Yang
|Jun 30, 2023
Isomerization-induced fluorescence enhancement of two new viologen derivatives: mechanism insight and DFT calculations.Xiuping Yin, Xinxing Li, Xuyi Li
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Frequent Collaborators
5 joint publications
Nigel W Moriarty
3 joint publications
Cristina Puzzarini
2 joint publications
Qin Yang
2 joint publications
Julien Bloino
2 joint publications
Pavel V Afonine
2 joint publications
Mark P Waller
2 joint publications
Holger Kruse
1 joint publications
Justyna Krupa
1 joint publications
Olexandr Isayev
1 joint publications
Timothy Burd
