Showing results (1-10 of 28) with videos related to
Sort By:
Pageof 3
Iucrj|October 17, 2025
Protein electrostatic potential Fourier maps calculated using the transferable aspherical atom model and the independent atom model across resolutionsMarta Kulik, Paulina Maria DominiakMolecules (Basel, Switzerland)|July 2, 2021
Combining Molecular Dynamic Information and an Aspherical-Atom Data Bank in the Evaluation of the Electrostatic Interaction Energy in Multimeric Protein-Ligand Complex: A Case Study for HIV-1 ProteasePrashant Kumar, Paulina Maria DominiakJournal of Applied Crystallography|September 11, 2025
Towards expansion of the MATTS data bank with heavier elements: the influence of the wavefunction basis set on the multipole model derived from the wavefunctionVladislav Ignat'ev, Paulina Maria DominiakNucleic Acids Research|July 30, 2020
Frequency and hydrogen bonding of nucleobase homopairs in small molecule crystalsMałgorzata Katarzyna Cabaj, Paulina Maria DominiakActa Crystallographica. Section C, Structural Chemistry|January 6, 2018
Molecular tapes in the structure of isoguaninium chlorideUrszula Anna Budniak, Paulina Maria DominiakActa Crystallographica. Section A, Foundations of Crystallography|October 19, 2012
Is it possible to derive quantitative information on polarization of electron density from the multipolar model?Joanna Maria Bąk, Zaneta Czyżnikowska, Paulina Maria DominiakActa Crystallographica. Section D, Structural Biology|August 2, 2022
Theoretical 3D electron diffraction electrostatic potential maps of proteins modeled with a multipolar pseudoatom data bankMarta Kulik, Michał Leszek Chodkiewicz, Paulina Maria DominiakIucrj|March 21, 2024
Dynamical refinement with multipolar electron scattering factorsBarbara Olech, Petr Brázda, Lukas Palatinus, et al.Acta Crystallographica. Section A, Foundations and Advances|January 8, 2020
Refinement of organic crystal structures with multipolar electron scattering factorsBarbara Gruza, Michał Leszek Chodkiewicz, Joanna Krzeszczakowska, et al.Iucrj|July 14, 2018
Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anionsPrashant Kumar, Malgorzata Katarzyna Cabaj, Aleksandra Pazio, et al.Pageof 3