| Extension of the transferable aspherical pseudoatom data bank for the comparison of molecular electrostatic potentials in structure-activity studies P Kumar, B Gruza, Bojarowski, S A., M Dominiak, P. Acta Crystallographica Section A FOUNDATIONS AND ADVANCES 75 (2), 398-408, 2019 | 43 | 2019 |
| TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data KK Jha, B Gruza, P Kumar, ML Chodkiewicz, PM Dominiak Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2020 | 35 | 2020 |
| A comparative study of transferable aspherical pseudoatom databank and classical force fields for predicting electrostatic interactions in molecular dimers P Kumar, SA Bojarowski, KN Jarzembska, S Domagała, ... Journal of Chemical Theory and Computation 10 (4), 1652-1664, 2014 | 32 | 2014 |
| A universal and straightforward approach to include penetration effects in electrostatic interaction energy estimation SA Bojarowski, P Kumar, PM Dominiak ChemPhysChem 17 (16), 2455-2460, 2016 | 27 | 2016 |
| Multipolar Atom Types from Theory and Statistical Clustering (MATTS) data bank: restructurization and extension of UBDB KK Jha, B Gruza, A Sypko, P Kumar, ML Chodkiewicz, PM Dominiak Journal of Chemical Information and Modeling 62 (16), 3752-3765, 2022 | 20 | 2022 |
| Interplay of point multipole moments and charge penetration for intermolecular electrostatic interaction energies from the University at Buffalo pseudoatom databank model of … SA Bojarowski, P Kumar, PM Dominiak Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2017 | 17 | 2017 |
| Universal method for electrostatic interaction energies estimation with charge penetration and easily attainable point charges SA Bojarowski, P Kumar, CM Wandtke, B Dittrich, PM Dominiak Journal of Chemical Theory and Computation 14 (12), 6336-6345, 2018 | 15 | 2018 |
| Intermolecular interactions in ionic crystals of nucleobase chlorides—combining topological analysis of electron densities with energies of electrostatic interactions P Kumar, MK Cabaj, PM Dominiak Crystals 9 (12), 668, 2019 | 13 | 2019 |
| Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions P Kumar, MK Cabaj, A Pazio, PM Dominiak IUCrJ 5 (4), 449-469, 2018 | 13 | 2018 |
| Phytochemicals as uropathognic Escherichia coli FimH antagonist: In vitro and in silico approach. SK Jaiswal, NK Sharma, S Krishnan, A Kumar, O Prakash, P Kumar, ... Current molecular medicine, 2018 | 11 | 2018 |
| 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 … P Kumar, PM Dominiak Molecules 26 (13), 3872, 2021 | 7 | 2021 |
| Structural and dynamical aspects of electrostatic interactions by applying aspherical atom model in HIV-1 protease P Kumar, PM Dominiak Biophysical Journal 110 (3), 380a, 2016 | 6 | 2016 |
| Analysis of oligomeric proteins during unfolding by pH and temperature. LA Bhattacharya P, Ganeshan T, Nandi S, Srivastava A, Kumar P, Rehan M ... J Mol Model 15 (9), 1013-25, 2009 | 2 | 2009 |
| New refinement strategies for a pseudoatom databank - toward rapid electrostatic interaction energy estimations SA Bojarowski, B Gruza, D Trzybiński, R Kamiński, AA Hoser, P Kumar, ... Acta Crystallographica Section B: Structural Science 76 (6), 2022 | 1 | 2022 |
| New refinement strategies for pseudoatom databank-towards wider range of application SA Bojarowski, B Gruza, D Trzybiński, R Kamiński, AA Hoser, P Kumar, ... | 1 | 2022 |
| Protonated nucleobases are not fully ionized and may form stable base pairs in the crystalline state P Kumar, MK Cabaj, A Pazio, PM Dominiak | | 2017 |
| Experimental charge densities of nucleobase chlorides from intermolecular interaction perspective PM Dominiak, P Kumar, M Cabaj, A Pazio Acta Crystallographica Section A: Foundations and Advances 73, C1439-C1439, 2017 | | 2017 |
| Inside Back Cover: A Universal and Straightforward Approach to Include Penetration Effects in Electrostatic Interaction Energy Estimation (ChemPhysChem 16/2016) SA Bojarowski, P Kumar, PM Dominiak ChemPhysChem 17 (16), 2607-2607, 2016 | | 2016 |
| Katarzyna N. Jarzembska, Slawomir Domagala and Paulina M. Dominiak Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland P Kumar, SA Bojarowski Foundations of Crystallography, 2013 | | 2013 |
| A Comparative Study of Transferable Theoretical Aspherical Pseudoatom Data Bank and Classical Force Field in Predicting the Coulombic Interaction of S66 Data-Set P Kumar, KN Jarzembska, PM Dominiak European Charge Density Meeting ECDM-6, 125, 2012 | | 2012 |
Paulina Maria DominiakUniversity of Warsaw在 chem.uw.edu.pl 的电子邮件经过验证
