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Anton V. Sinitskiy, Ph.D. - Publications

Affiliations: 
2014 Chemistry University of Chicago, Chicago, IL 
Area:
theoretical and computer simulation studies of biomolecular and liquid state phenomena
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16/26 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Sinitskiy AV, Pande VS. Computer Simulations Predict High Structural Heterogeneity of Functional State of NMDA Receptors. Biophysical Journal. PMID 30029773 DOI: 10.1016/J.Bpj.2018.06.023  0.385
2018 Sinitskiy AV, Pande VS. Theoretical restrictions on longest implicit time scales in Markov state models of biomolecular dynamics. The Journal of Chemical Physics. 148: 044111. PMID 29390806 DOI: 10.1063/1.5005058  0.337
2018 Sinitskiy AV, Voth GA. Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM). The Journal of Chemical Physics. 148: 014102. PMID 29306280 DOI: 10.1063/1.5006810  0.514
2017 Sinitskiy AV, Pande VS. Simulated Dynamics of Glycans on Ligand-Binding Domain of NMDA Receptors Reveals Strong Dynamic Coupling between Glycans and Protein Core. Journal of Chemical Theory and Computation. PMID 29019687 DOI: 10.1021/Acs.Jctc.7B00817  0.352
2017 Sinitskiy AV, Stanley NH, Hackos DH, Hanson JE, Sellers BD, Pande VS. Computationally Discovered Potentiating Role of Glycans on NMDA Receptors. Scientific Reports. 7: 44578. PMID 28378791 DOI: 10.1038/Srep44578  0.326
2017 Madsen JJ, Sinitskiy AV, Li J, Voth GA. Highly Coarse-grained Representations of Transmembrane Proteins. Journal of Chemical Theory and Computation. PMID 28043122 DOI: 10.1021/Acs.Jctc.6B01076  0.562
2016 Hocky GM, Baker JL, Bradley MJ, Sinitskiy AV, De La Cruz EM, Voth GA. Cations Stiffen Actin Filaments by Adhering a Key Structural Element to Adjacent Subunits. The Journal of Physical Chemistry. B. PMID 27146246 DOI: 10.1021/Acs.Jpcb.6B02741  0.66
2016 Hocky GM, Baker JL, Bradley MJ, Sinitskiy AV, De La Cruz EM, Voth GA. Specific Cation Binding Stiffens Actin Filaments by Adhering D-Loops to Adjacent Monomers Biophysical Journal. 110: 125a. DOI: 10.1016/J.Bpj.2015.11.721  0.654
2015 Sinitskiy AV, Voth GA. A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals. The Journal of Chemical Physics. 143: 094104. PMID 26342356 DOI: 10.1063/1.4929790  0.45
2014 Davtyan A, Dama JF, Sinitskiy AV, Voth GA. The Theory of Ultra-Coarse-Graining. 2. Numerical Implementation. Journal of Chemical Theory and Computation. 10: 5265-75. PMID 26583210 DOI: 10.1021/Ct500834T  0.55
2014 Jang S, Sinitskiy AV, Voth GA. Can the ring polymer molecular dynamics method be interpreted as real time quantum dynamics? Journal of Chemical Physics. 140. DOI: 10.1063/1.4870717  0.456
2014 Davtyan A, Dama JF, Sinitskiy AV, Voth GA. The theory of ultra-coarse-graining. 2. Numerical implementation Journal of Chemical Theory and Computation. 10: 5265-5275. DOI: 10.1021/ct500834t  0.403
2013 Dama JF, Sinitskiy AV, McCullagh M, Weare J, Roux B, Dinner AR, Voth GA. The Theory of Ultra-Coarse-Graining. 1. General Principles. Journal of Chemical Theory and Computation. 9: 2466-80. PMID 26583735 DOI: 10.1021/Ct4000444  0.639
2013 Dama JF, Sinitskiy AV, McCullagh M, Weare J, Roux B, Dinner AR, Voth GA. The theory of ultra-coarse-graining. 1. General principles Journal of Chemical Theory and Computation. 9: 2466-2480. DOI: 10.1021/ct4000444  0.557
2013 Sinitskiy AV, Voth GA. Coarse-graining of proteins based on elastic network models Chemical Physics. 422: 165-174. DOI: 10.1016/J.Chemphys.2013.01.024  0.509
2012 Sinitskiy AV, Saunders MG, Voth GA. Optimal number of coarse-grained sites in different components of large biomolecular complexes. The Journal of Physical Chemistry. B. 116: 8363-74. PMID 22276676 DOI: 10.1021/Jp2108895  0.646
Low-probability matches (unlikely to be authored by this person)
2010 Sinitskiy AV, Greenman L, Mazziotti DA. Strong correlation in hydrogen chains and lattices using the variational two-electron reduced density matrix method. The Journal of Chemical Physics. 133: 014104. PMID 20614956 DOI: 10.1063/1.3459059  0.29
2009 Sinitskiy AV, Tchougréeff AL, Tokmachev AM, Dronskowski R. Modeling molecular crystals formed by spin-active metal complexes by atom-atom potentials. Physical Chemistry Chemical Physics : Pccp. 11: 10983-93. PMID 19924334 DOI: 10.1039/B908321A  0.278
2018 Sinitskiy AV, Subedi GP, Barb AW, Pande VS. Glycan-Protein Interactions in NMDA Receptors Revealed with Computational Modeling and NMR Spectroscopy Biophysical Journal. 114: 338a. DOI: 10.1016/J.Bpj.2017.11.1889  0.273
2019 Subedi GP, Sinitskiy AV, Roberts JT, Patel KR, Pande VS, Barb AW. Intradomain Interactions in an NMDA Receptor Fragment Mediate N-Glycan Processing and Conformational Sampling. Structure (London, England : 1993). 27: 55-65.e3. PMID 30482728 DOI: 10.1016/J.Str.2018.09.010  0.269
2011 Sinitskiy AV, Tchougréeff AL, Dronskowski R. Phenomenological model of spin crossover in molecular crystals as derived from atom-atom potentials. Physical Chemistry Chemical Physics : Pccp. 13: 13238-46. PMID 21698319 DOI: 10.1039/C1Cp20440H  0.254
2021 Feng CJ, Sinitskiy A, Pande V, Tokmakoff A. Computational IR Spectroscopy of Insulin Dimer Structure and Conformational Heterogeneity. The Journal of Physical Chemistry. B. PMID 33929849 DOI: 10.1021/acs.jpcb.1c00399  0.218
2023 Tysinger EP, Rai BK, Sinitskiy AV. Can We Quickly Learn to "Translate" Bioactive Molecules with Transformer Models? Journal of Chemical Information and Modeling. 63: 1734-1744. PMID 36914216 DOI: 10.1021/acs.jcim.2c01618  0.14
2024 King-Smith E, Faber FA, Reilly U, Sinitskiy AV, Yang Q, Liu B, Hyek D, Lee AA. Predictive Minisci late stage functionalization with transfer learning. Nature Communications. 15: 426. PMID 38225239 DOI: 10.1038/s41467-023-42145-1  0.114
2019 Shein A, Olenchenko V, Kamnev Y, Sinitskiy A. STRUCTURE OF FREEZING TALIK UNDER LAKE AT THE PARISENTO FIELD STATION (GYDAN PENINSULA) ACCORDING TO ELECTRICAL RESISTIVITY TOMOGRAPHY Interexpo Geo-Siberia. 2: 103-110. DOI: 10.33764/2618-981x-2019-2-2-103-110  0.044
2019 Saeva O, Yurkevich N, Sinitskiy A, Kamnev Y, Shein A, Yurkevich N. FEATURES OF ELEMENTS DISTRIBUTION IN PERMAFROST SOIL ON THE GYDAN PENINSULA Interexpo Geo-Siberia. 2: 129-136. DOI: 10.33764/2618-981x-2019-2-2-129-136  0.042
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