Mitochondrial pathways of copper neurotoxicity: focus on mitochondrial dynamics and mitophagy von Michael Aschner, Anatoly V. Skalny, Anatoly V. Skalny, Anatoly V. Skalny, Rongzhu Lu, Airton C. Martins, Yousef Tizabi, Sergey V. Nekhoroshev, Abel Santamaria, Abel Santamaria, Anton I. Sinitskiy, Alexey A. Tinkov, Alexey A. Tinkov, Alexey A. Tinkov

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Can We Quickly Learn to “Translate” Bioactive Molecules with Transformer Models? von Tysinger, Emma P., Rai, Brajesh K., Sinitskiy, Anton V.

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Computer Simulations Predict High Structural Heterogeneity of Functional State of NMDA Receptors von Sinitskiy, Anton V., Pande, Vijay S.

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Predictive Minisci late stage functionalization with transfer learning von King-Smith, Emma, Faber, Felix A., Reilly, Usa, Sinitskiy, Anton V., Yang, Qingyi, Liu, Bo, Hyek, Dennis, Lee, Alpha A.

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Strong correlation in hydrogen chains and lattices using the variational two-electron reduced density matrix method von Sinitskiy, Anton V., Greenman, Loren, Mazziotti, David A.

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The Theory of Ultra-Coarse-Graining. 2. Numerical Implementation von Davtyan, Aram, Dama, James F, Sinitskiy, Anton V, Voth, Gregory A

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Computational IR Spectroscopy of Insulin Dimer Structure and Conformational Heterogeneity von Feng, Chi-Jui, Sinitskiy, Anton, Pande, Vijay, Tokmakoff, Andrei

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Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM) von Sinitskiy, Anton V., Voth, Gregory A.

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The Theory of Ultra-Coarse-Graining. 1. General Principles von Dama, James F, Sinitskiy, Anton V, McCullagh, Martin, Weare, Jonathan, Roux, Benoît, Dinner, Aaron R, Voth, Gregory A

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Simulated Dynamics of Glycans on Ligand-Binding Domain of NMDA Receptors Reveals Strong Dynamic Coupling between Glycans and Protein Core von Sinitskiy, Anton V, Pande, Vijay S

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Intradomain Interactions in an NMDA Receptor Fragment Mediate N-Glycan Processing and Conformational Sampling von Subedi, Ganesh P., Sinitskiy, Anton V., Roberts, Jacob T., Patel, Kashyap R., Pande, Vijay S., Barb, Adam W.

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Can the ring polymer molecular dynamics method be interpreted as real time quantum dynamics? von Jang, Seogjoo, Sinitskiy, Anton V., Voth, Gregory A.

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Theoretical restrictions on longest implicit time scales in Markov state models of biomolecular dynamics von Sinitskiy, Anton V., Pande, Vijay S.

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Computationally Discovered Potentiating Role of Glycans on NMDA Receptors von Sinitskiy, Anton V., Stanley, Nathaniel H., Hackos, David H., Hanson, Jesse E., Sellers, Benjamin D., Pande, Vijay S.

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Highly Coarse-Grained Representations of Transmembrane Proteins von Madsen, Jesper J, Sinitskiy, Anton V, Li, Jianing, Voth, Gregory A

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Optimal Number of Coarse-Grained Sites in Different Components of Large Biomolecular Complexes von Sinitskiy, Anton V, Saunders, Marissa G, Voth, Gregory A

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A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals von Sinitskiy, Anton V, Voth, Gregory A

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Cations Stiffen Actin Filaments by Adhering a Key Structural Element to Adjacent Subunits von Hocky, Glen M, Baker, Joseph L, Bradley, Michael J, Sinitskiy, Anton V, De La Cruz, Enrique M, Voth, Gregory A

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Coarse-graining of proteins based on elastic network models von Sinitskiy, Anton V., Voth, Gregory A.

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Glycan-Protein Interactions in NMDA Receptors Revealed with Computational Modeling and NMR Spectroscopy von Sinitskiy, Anton V., Subedi, Ganesh P., Barb, Adam W., Pande, Vijay S.

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