| On the possibility of kinetic energy density evaluation from the experimental electron-density distribution YA Abramov Foundations of Crystallography 53 (3), 264-272, 1997 | 626 | 1997 |
| The chemical bond and atomic displacements in SrTiO3 from X-ray diffraction analysis YA Abramov, VG Tsirelson, VE Zavodnik, SA Ivanov, ID Brown Structural Science 51 (6), 942-951, 1995 | 364 | 1995 |
| Solid-State Acid−Base Interactions in Complexes of Heterocyclic Bases with Dicarboxylic Acids: Crystallography, Hydrogen Bond Analysis, and 15N NMR … ZJ Li, Y Abramov, J Bordner, J Leonard, A Medek, AV Trask Journal of the American Chemical Society 128 (25), 8199-8210, 2006 | 226 | 2006 |
| Evaluation of net atomic charges and atomic and molecular electrostatic moments through topological analysis of the experimental charge density A Volkov, C Gatti, Y Abramov, P Coppens Foundations of Crystallography 56 (3), 252-258, 2000 | 219 | 2000 |
| Rational coformer or solvent selection for pharmaceutical cocrystallization or desolvation YA Abramov, C Loschen, A Klamt Journal of pharmaceutical sciences 101 (10), 3687-3697, 2012 | 206 | 2012 |
| On the origin of topological differences between experimental and theoretical crystal charge densities A Volkov, Y Abramov, P Coppens, C Gatti Foundations of Crystallography 56 (4), 332-339, 2000 | 204 | 2000 |
| Bioactivation of the nontricyclic antidepressant nefazodone to a reactive quinone-imine species in human liver microsomes and recombinant cytochrome P450 3A4 AS Kalgutkar, ADN Vaz, ME Lame, KR Henne, J Soglia, SX Zhao, ... Drug metabolism and disposition 33 (2), 243-253, 2005 | 173 | 2005 |
| Density-optimized radial exponents for X-ray charge-density refinement from ab initio crystal calculations A Volkov, YA Abramov, P Coppens Foundations of Crystallography 57 (3), 272-282, 2001 | 143 | 2001 |
| X-ray and electron diffraction study of MgO VG Tsirelson, AS Avilov, YA Abramov, EL Belokoneva, R Kitaneh, D Feil Structural Science 54 (1), 8-17, 1998 | 142 | 1998 |
| Development of a targeted polymorph screening approach for a complex polymorphic and highly solvating API AM Campeta, BP Chekal, YA Abramov, PA Meenan, MJ Henson, B Shi, ... Journal of pharmaceutical sciences 99 (9), 3874-3886, 2010 | 139 | 2010 |
| Experimental Charge Densities and Intermolecular Interactions: Electrostatic and Topological Analysis of dl-Histidine P Coppens, Y Abramov, M Carducci, B Korjov, I Novozhilova, C Alhambra, ... Journal of the American Chemical Society 121 (11), 2585-2593, 1999 | 125 | 1999 |
| On the evaluation of molecular dipole moments from multipole refinement of X-ray diffraction data YA Abramov, AV Volkov, P Coppens Chemical physics letters 311 (1-2), 81-86, 1999 | 119 | 1999 |
| A computational approach to enzyme design: Predicting ω-aminotransferase catalytic activity using docking and MM-GBSA scoring S Sirin, R Kumar, C Martinez, MJ Karmilowicz, P Ghosh, YA Abramov, ... Journal of chemical information and modeling 54 (8), 2334-2346, 2014 | 102 | 2014 |
| Theoretical and experimental design of atypical kinase inhibitors: application to p38 MAP kinase KF McClure, YA Abramov, ER Laird, JT Barberia, W Cai, TJ Carty, ... Journal of medicinal chemistry 48 (18), 5728-5737, 2005 | 96 | 2005 |
| Integrating intramolecular hydrogen bonding (IMHB) considerations in drug discovery using ΔlogP as a tool M Shalaeva, G Caron, YA Abramov, TN O’Connell, MS Plummer, ... Journal of medicinal chemistry 56 (12), 4870-4879, 2013 | 95 | 2013 |
| Current computational approaches to support pharmaceutical solid form selection YA Abramov Organic Process Research & Development 17 (3), 472-485, 2013 | 85 | 2013 |
| Use of X-ray Charge Densities in the Calculation of Intermolecular Interactions and Lattice Energies: Application to Glycylglycine, dl-Histidine, and dl-Proline and … YA Abramov, A Volkov, G Wu, P Coppens The Journal of Physical Chemistry B 104 (9), 2183-2188, 2000 | 75 | 2000 |
| Experimental Charge Density and Neutron Structural Study of cis-HMn(CO)4PPh3: Comprehensive Analysis of Chemical Bonding and Evidence for a C−H···H … YA Abramov, L Brammer, WT Klooster, RM Bullock Inorganic Chemistry 37 (24), 6317-6328, 1998 | 75 | 1998 |
| The challenges of developing an API crystallization process for a complex polymorphic and highly solvating system. Part I BP Chekal, AM Campeta, YA Abramov, N Feeder, PP Glynn, ... Organic process research & development 13 (6), 1327-1337, 2009 | 74 | 2009 |
| Low solubility in drug development: de-convoluting the relative importance of solvation and crystal packing R Docherty, K Pencheva, YA Abramov Journal of Pharmacy and Pharmacology 67 (6), 847-856, 2015 | 72 | 2015 |
