| Molecular Recognition: Pharmacological Aspects F Dukhovich, M Darkhovskii Nova Publisher, 2004 | 29 | 2004 |
| Local effective crystal field combined with molecular mechanics. Improved QM/MM junction and application to Fe (II) and Co (II) complexes MB Darkhovskii, AL Tchougréeff The Journal of Physical Chemistry A 108 (30), 6351-6364, 2004 | 25 | 2004 |
| Молекулярное узнавание: фармакологические аспекты ЕН Горбатова, МБ Дарховский, ФС Духович М.: Медицина, 2004 | 22 | 2004 |
| Hybrid molecular mechanics: For effective crystal field method for modeling potential energy surfaces of transition metal complexes MB Darhovskii, MG Razumov, IV Pletnev, AL Tchougréeff International journal of quantum chemistry 88 (5), 588-605, 2002 | 20 | 2002 |
| Accurate determination of solvation free energies of neutral organic compounds from first principles L Pereyaslavets, G Kamath, O Butin, A Illarionov, M Olevanov, I Kurnikov, ... Nature communications 13 (1), 414, 2022 | 19 | 2022 |
| Low‐and high‐spin iron (II) complexes studied by effective crystal field method combined with molecular mechanics MB Darkhovskii, IV Pletnev, AL Tchougréeff Journal of computational chemistry 24 (14), 1703-1719, 2003 | 15 | 2003 |
| Effective crystal field for trivalent first transition row ions AV Sinitsky, MB Darhovskii, AL Tchougréeff, IA Misurkin International journal of quantum chemistry 88 (4), 370-379, 2002 | 15 | 2002 |
| Transition metal complexes with open d-shell in semiempirical context. Application to analysis of Mössbauer data on spin–active iron(II) compounds MB Darkhovskii, AV Soudackov, AL Tchougréeff Theoretical Chemistry Accounts 114, 97-109, 2005 | 12 | 2005 |
| Relationship between the dissociation constant and the lifetime for complexes of biologically active substances with receptors and enzymes FS Dukhovich, EN Gorbatova, MB Darkhovskii, VK Kurochkin Pharmaceutical Chemistry Journal 36 (5), 248-254, 2002 | 12 | 2002 |
| Molecular electrostatic potential as a factor of drug–receptor recognition FS Dukhovich, MB Darkhovskii Journal of Molecular Recognition 16 (4), 191-202, 2003 | 11 | 2003 |
| Lattice relaxation and order in the low‐spin to high‐spin transitions in molecular crystals AL Tchougréeff, MB Darkhovskii International journal of quantum chemistry 57 (5), 903-912, 1996 | 9 | 1996 |
| Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions A Illarionov, S Sakipov, L Pereyaslavets, IV Kurnikov, G Kamath, O Butin, ... Journal of the American Chemical Society 145 (43), 23620-23629, 2023 | 8 | 2023 |
| AL Tchougr ee On unification of quantum chemistry and molecular mechanics. Potential energy surfaces of transition metal complexes as exemplified by spin transition in cis-Fe … MB Darkhovskii Khim. Fiz 18, 73-79, 1999 | 8 | 1999 |
| Protein–Ligand Binding Free-Energy Calculations with ARROW─ A Purely First-Principles Parameterized Polarizable Force Field G Nawrocki, I Leontyev, S Sakipov, M Darkhovskiy, I Kurnikov, ... Journal of Chemical Theory and Computation 18 (12), 7751-7763, 2022 | 6 | 2022 |
| MNDO parameterized hybrid SLG/SCF method as used for molecular modeling of Zn (II) complexes MB Darkhovskii, AM Tokmachev, AL Tchougréeff International journal of quantum chemistry 106 (10), 2268-2280, 2006 | 5 | 2006 |
| Зависимость между константой диссоциации и временем жизни комплексов физиологически активных веществ с рецепторами и ферментами ФС Духович, ЕН Горбатова, МБ Дарховский, ВК Курочкин Химико-фармацевтический журнал 36 (5), 26-32, 2002 | 5 | 2002 |
| AL Tchougr éeff MB Darkhovskii Zh. Fiz. Khim 74, 360, 2000 | 5 | 2000 |
| Interpretation and calculation of the parameters of the model of angular overlap of orbitals based on the local method of effective crystal field MB Darkhovskii, AL Chugreev Russian Journal of Physical Chemistry A 74 (2), 296-303, 2000 | 5 | 2000 |
| On combining quantum chemistry and molecular mechanics. The potential energy surface of complexes of transition metals exemplified by spin transition in cis-[Fe (bipy) 2 (CNS) 2] MB Darkhovskii, AL Tchougréeff Chemical Physics Reports 18 (1), 149-161, 1999 | 5 | 1999 |
| The agonist paradox: Agonists and antagonists of acetylcholine receptors and opioid receptors FS Dukhovich, MB Darkhovskii, EN Gorbatova, VS Polyakov Chemistry & biodiversity 2 (3), 354-366, 2005 | 4 | 2005 |
Andrei TchougreeffFrumkin Institute of RASEmail verificata su ac.rwth-aachen.de
