| Quadrupole correction: from molecular electrostatic potential to free energies of halogen bonding OI Titov, DA Shulga, VA Palyulin Journal of Chemical Theory and Computation 15 (2), 1159-1167, 2018 | 19 | 2018 |
| Perspectives of halogen bonding description in scoring functions and QSAR/QSPR: Substituent effects in aromatic core OI Titov, DA Shulga, VA Palyulin, NS Zefirov Molecular Informatics 34 (6‐7), 404-416, 2015 | 15 | 2015 |
| Description of halogen bonding on the basis of multicenter multipole expansion OI Titov, DA Shulga, VA Palyulin, NS Zefirov Doklady Chemistry 450, 139-143, 2013 | 10 | 2013 |
| Multipole models of sulphur for accurate anisotropic electrostatic interactions within force fields DA Shulga, OI Titov, SA Pisarev, VA Palyulin SAR and QSAR in Environmental Research 29 (1), 21-42, 2018 | 8 | 2018 |
| Quadrupole correction for halogen bonding description in virtual screening and molecular docking OI Titov, DA Shulga, VA Palyulin, NS Zefirov Doklady Chemistry 471, 338-342, 2016 | 5 | 2016 |
| Anisotropic electrostatics approaches in description of halogen bonding within intermolecular potentials OI Titov, DA Shulga, VA Palyulin, NS Zefirov MODELS IN BIOSCIENCE AND MATERIALS RESEARCH, 49, 2013 | | 2013 |
| HALOGEN BONDING: NATURE, ROLE AND ROUTES TO SUCCESSFUL SIMULATION OI Titov, DA Shulga, VA Palyulin, NS Zefirov The contributions are reproduced directly from the originals submitted to …, 0 | | |
