| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3146 | 2015 |
| Conformationally locked chromophores as models of excited-state proton transfer in fluorescent proteins MS Baranov, KA Lukyanov, AO Borissova, J Shamir, D Kosenkov, ... Journal of the American Chemical Society 134 (13), 6025-6032, 2012 | 194 | 2012 |
| Solvent Effects on the Electronic Transitions of p-Nitroaniline: A QM/EFP Study D Kosenkov, LV Slipchenko The Journal of Physical Chemistry A 115 (4), 392-401, 2011 | 151 | 2011 |
| Noncovalent interactions in extended systems described by the effective fragment potential method: Theory and application to nucleobase oligomers D Ghosh, D Kosenkov, V Vanovschi, CF Williams, JM Herbert, MS Gordon, ... The Journal of Physical Chemistry A 114 (48), 12739-12754, 2010 | 136 | 2010 |
| Accurate prediction of noncovalent interaction energies with the effective fragment potential method: Comparison of energy components to symmetry-adapted perturbation theory … JC Flick, D Kosenkov, EG Hohenstein, CD Sherrill, LV Slipchenko Journal of chemical theory and computation 8 (8), 2835-2843, 2012 | 119 | 2012 |
| Extension of the effective fragment potential method to macromolecules PK Gurunathan, A Acharya, D Ghosh, D Kosenkov, I Kaliman, Y Shao, ... The Journal of Physical Chemistry B 120 (27), 6562-6574, 2016 | 96 | 2016 |
| Evolution of amide stacking in larger γ-peptides: triamide H-bonded cycles WH James III, EG Buchanan, CW Müller, JC Dean, D Kosenkov, ... The Journal of Physical Chemistry A 115 (47), 13783-13798, 2011 | 92 | 2011 |
| Ab initio kinetic simulation of gas-phase experiments: tautomerization of cytosine and guanine D Kosenkov, Y Kholod, L Gorb, O Shishkin, DM Hovorun, M Mons, ... The Journal of Physical Chemistry B 113 (17), 6140-6150, 2009 | 64 | 2009 |
| Effective fragment potential method in Q‐CHEM: A guide for users and developers D Ghosh, D Kosenkov, V Vanovschi, J Flick, I Kaliman, Y Shao, ... Journal of computational chemistry 34 (12), 1060-1070, 2013 | 58 | 2013 |
| Integrating chemistry laboratory instrumentation into the industrial internet: building, programming, and experimenting with an automatic titrator N Famularo, Y Kholod, D Kosenkov Journal of Chemical Education 93 (1), 175-181, 2016 | 50 | 2016 |
| Thermodynamics of binding of di-and tetrasubstituted naphthalene diimide ligands to DNA G-quadruplex G Prato, S Silvent, S Saka, M Lamberto, D Kosenkov The Journal of Physical Chemistry B 119 (8), 3335-3347, 2015 | 31 | 2015 |
| Tautomeric Equilibrium, Stability, and Hydrogen Bonding in 2‘-Deoxyguanosine Monophosphate Complexed with Mg2+ D Kosenkov, L Gorb, OV Shishkin, J Šponer, J Leszczynski The Journal of Physical Chemistry B 112 (1), 150-157, 2008 | 29 | 2008 |
| Transient-Absorption Spectroscopy of Cis–Trans Isomerization of N,N-Dimethyl-4,4′-azodianiline with 3D-Printed Temperature-Controlled Sample Holder D Kosenkov, J Shaw, J Zuczek, Y Kholod Journal of Chemical Education 93 (7), 1299-1304, 2016 | 25 | 2016 |
| Computer-aided drug discovery: molecular docking of diminazene ligands to DNA minor groove Y Kholod, E Hoag, K Muratore, D Kosenkov Journal of Chemical Education 95 (5), 882-887, 2018 | 22 | 2018 |
| Thermodynamics and Kinetics of Intramolecular Water Assisted Proton Transfer in Na+-1-Methylcytosine Water Complexes A Michalkova, D Kosenkov, L Gorb, J Leszczynski The Journal of Physical Chemistry B 112 (29), 8624-8633, 2008 | 20 | 2008 |
| Ethanolysis of N-substituted norbornane epoxyimides: Discovery of diverse pathways depending on substituent's character T Petrova, I Tarabara, V Palchikov, L Kasyan, D Kosenkov, S Okovytyy, ... Organic & Biomolecular Chemistry 8 (9), 2142-2157, 2010 | 17 | 2010 |
| Effect of a pH change on the conformational stability of the modified nucleotide queuosine monophosphate D Kosenkov, YA Kholod, L Gorb, OV Shishkin, GM Kuramshina, ... The Journal of Physical Chemistry A 113 (33), 9386-9395, 2009 | 14 | 2009 |
| Excitation energy transfer pathways in light‐harvesting proteins: Modeling with PyFREC Y Kholod, M DeFilippo, B Reed, D Valdez, G Gillan, D Kosenkov Journal of Computational Chemistry 39 (8), 438-449, 2018 | 11 | 2018 |
| PyFREC: Software for Förster electronic coupling evaluation in molecular fragments D Kosenkov Journal of Computational Chemistry 37 (19), 1847-1854, 2016 | 11 | 2016 |
| Viability of pyrite pulled metabolism in the ‘iron-sulfur world’theory: Quantum chemical assessment A Michalkova, Y Kholod, D Kosenkov, L Gorb, J Leszczynski Geochimica et Cosmochimica Acta 75 (7), 1933-1941, 2011 | 10 | 2011 |
