Serzhan Sakipov, Ph.D.
Affiliations: | 2013- | Chemistry | Carnegie Mellon University, Pittsburgh, PA |
Area:
MD simulations, Quantum Chemical calculations, Ion channels, Protein-small molecule interactionsGoogle:
"Serzhan Sakipov"Parents
Sign in to add mentor| Viktor G. Plotnikov | research assistant | 2011-2013 | Moscow Institute of Physics and Technology |
| Maria G Kurnikova | grad student | 2013-2018 | Carnegie Mellon (Physics Tree) |
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Publications
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| Illarionov A, Sakipov S, Pereyaslavets L, et al. (2023) Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions. Journal of the American Chemical Society. 145: 23620-23629 |
| Nawrocki G, Leontyev I, Sakipov S, et al. (2022) Protein-Ligand Binding Free-Energy Calculations with ARROW─A Purely First-Principles Parameterized Polarizable Force Field. Journal of Chemical Theory and Computation |
| Pereyaslavets L, Kamath G, Butin O, et al. (2022) Accurate determination of solvation free energies of neutral organic compounds from first principles. Nature Communications. 13: 414 |
| Kurnikova MG, Sakipov S, Kottke C, et al. (2020) Dynamical Mechanisms of Glutamate Receptor Gating and Sub-Conductance Biophysical Journal. 118: 581a |
| Narangoda C, Sakipov SN, Kurnikova MG. (2019) AMPA Receptor Noncompetitive Inhibitors Occupy a Promiscuous Binding Site. Acs Chemical Neuroscience |
| Sakipov SN, Flores-Canales JC, Kurnikova MG. (2019) A Hierarchical Approach to Predict Conformation Dependent Histidine Protonation States in Stable and Flexible Proteins. The Journal of Physical Chemistry. B |
| Sakipov S, Narangoda Cm, Mesbahi S, et al. (2019) Agonist and Inhibitor Binding Effects on AMPA Receptor Internal Structure and Dynamics Biophysical Journal. 116: 107a |
| Narangoda C, Sakipov S, Kurnikova MG. (2019) Computational Characterization of the Binding of Non-Competitive Inhibitors to AMPA Receptors Biophysical Journal. 116: 106a-107a |
| Sakipov S, Sobolevsky AI, Kurnikova MG. (2018) Ion Permeation Mechanism in Epithelial Calcium Channel TRVP6. Scientific Reports. 8: 5715 |
| Sakipov S, Rafikova O, Kurnikova MG, et al. (2017) Molecular mechanisms of bio-catalysis of heme extraction from hemoglobin. Redox Biology. 11: 516-523 |