Prashant Kumar

tel: 22 55 26 394
e-mail: pkumar@chem.uw.edu.pl
address: ul. Pasteura 1
room: 163.8
Researchgate


Publications

  1. Kumar P, Cabaj MK, Dominiak PM
    Intermolecular Interactions in Ionic Crystals of Nucleobase Chlorides—Combining Topological Analysis of Electron Densities with Energies of Electrostatic Interactions
    CRYSTALS 9, 688-705, Published: 2019, [DOI: 10.3390/cryst9120668 ]
  2. 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]
  3. Bojarowski SA, Kumar P, Wandtke CM, Bittrich B, Dominiak PM
    Universal Method for Electrostatic Interaction Energies Estimation with Charge Penetration and Easily Attainable Point Charges
    J. CHEM. THEORY COMPUT. 14, 12, 6336–6345; Published: 2018, [DOI: 10.1021/acs.jctc.8b00781]
  4. Kumar P, Cabaj MK, Pazio A, Dominiak PM
    Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions
    IUCRJ 5, 449-469; Published: 2018, [DOI: 10.1107/S2052252518006346]
  5. Bojarowski SA, Kumar P, Dominiak PM
    Interplay of point multipole moments and charge penetration for intermolecular electrostatic interaction energies from the University at Buffalo pseudoatom databank model of electron density
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS 73, 598-609, Published: 2017, [DOI: 10.1107/S2052520617005510]
  6. Bojarowski SA, Kumar P, Dominiak PM
    A Universal and Straightforward Approach to Include Penetration Effects in Electrostatic Interaction Energy Estimation
    CHEMPHYSCHEM 17, 2455-2460, Published: 2016, [DOI: 10.1002/cphc.201600390]
  7. Kumar P, Bojarowski SA, Jarzembska KN, Domagala S, Vanommeslaeghe K, MacKerell AD, Dominiak PM
    A Comparative Study of Transferable Aspherical Pseudoatom Databank and Classical Force Fields for Predicting Electrostatic Interactions in Molecular Dimers
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 10, 1652-1664, Published: 2014, [DOI: 10.1021/ct4011129]