Ion permeation mechanism in epithelial calcium channel TRVP6 S Sakipov, AI Sobolevsky, MG Kurnikova Scientific Reports 8 (1), 5715, 2018 | 42 | 2018 |
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 | 28 | 2022 |
Luminescent properties of chalcone and its aminoderivatives KG Komarova, SN Sakipov, VG Plotnikov, MV Alfimov Journal of Luminescence 164, 57-63, 2015 | 23 | 2015 |
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 | 18 | 2023 |
AMPA receptor noncompetitive inhibitors occupy a promiscuous binding site C Narangoda, SN Sakipov, MG Kurnikova ACS Chemical Neuroscience 10 (11), 4511-4521, 2019 | 18 | 2019 |
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 | 10 | 2022 |
Molecular mechanisms of bio-catalysis of heme extraction from hemoglobin S Sakipov, O Rafikova, MG Kurnikova, R Rafikov Redox Biology 11, 516-523, 2017 | 8 | 2017 |
A hierarchical approach to predict conformation-dependent histidine protonation states in stable and flexible proteins SN Sakipov, JC Flores-Canales, MG Kurnikova The Journal of Physical Chemistry B 123 (24), 5024-5034, 2019 | 5 | 2019 |
Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic Properties IV Kurnikov, L Pereyaslavets, G Kamath, SN Sakipov, E Voronina, O Butin, ... Journal of chemical theory and computation 20 (3), 1347-1357, 2024 | 4 | 2024 |
Artificial intelligence-based modeling of molecular systems guided by quantum mechanical data B Fain, L Pereyaslavets, G Kamath, I Kurnikov, S Sakipov US Patent App. 18/136,621, 2024 | 3 | 2024 |
Combining Force Fields and Neural Networks for an Accurate Representation of Bonded Interactions G Kamath, A Illarionov, S Sakipov, L Pereyaslavets, IV Kurnikov, O Butin, ... The Journal of Physical Chemistry A 128 (4), 807-812, 2024 | 3 | 2024 |
The Determination of Free Energy of Hydration of Water Ions from First Principles O Butin, L Pereyaslavets, G Kamath, A Illarionov, S Sakipov, IV Kurnikov, ... Journal of Chemical Theory and Computation 20 (12), 5215-5224, 2024 | 2 | 2024 |
On the photonics of aromatic azide molecules KG Komarova, SN Sakipov, VG Plotnikov, VA Smirnov, MV Alfimov High Energy Chemistry 48, 359-362, 2014 | 2 | 2014 |
Ion permeation mechanism in trpv6 Ca2+ channel S Sakipov, AI Sobolevsky, M Kurnikova Biophysical Journal 112 (3), 466a, 2017 | 1 | 2017 |
Dynamical Mechanisms of Glutamate Receptor Gating and Sub-Conductance MG Kurnikova, S Sakipov, C Kottke, C Narangoda, J Scaranto Biophysical Journal 118 (3), 581a, 2020 | | 2020 |
Computational Characterization of the Binding of Non-Competitive Inhibitors to AMPA Receptors C Narangoda, S Sakipov, MG Kurnikova Biophysical Journal 116 (3), 106a-107a, 2019 | | 2019 |
Agonist and Inhibitor Binding Effects on AMPA Receptor Internal Structure and Dynamics S Sakipov, S Mesbahi, JC Flores-Canales, C Kottke, MG Kurnikova Biophysical Journal 116 (3), 107a, 2019 | | 2019 |
Molecular Modeling: Studies Investigating Mechanisms behind the Function of Biological Macromolecules S Sakipov Carnegie Mellon University, 2018 | | 2018 |
Bio-Catalysis of Heme Extraction from Extracellular Hemoglobin for Sickle Cell Disease and Hemolysis Treatment S Sakipov, M Kurnikova, R Rafikov Free Radical Biology and Medicine 1 (87), S56, 2015 | | 2015 |
Электронная структура и фотохимический распад молекул органических азидов СН Сакипов, ПВ Комаров, ВГ Плотников | | |