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Anton V. Sinitskiy · SciRah

Researcher profile · Semantic Scholar

Anton V. Sinitskiy

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Anton V. Sinitskiy — researcher profile on SciRah

h-index: 15
Works: 27
Citations: 738

Most-cited papers

The Theory of Ultra-Coarse-Graining. 1. General Principles.
James F. Dama, Anton V. Sinitskiy, Martin McCullagh, J. Weare +3 more
2013Journal of Chemical Theory and Computation158 citations
Semantic Scholar
Strong correlation in hydrogen chains and lattices using the variational two-electron reduced density matrix method.
Anton V. Sinitskiy, Loren Greenman, David A. Mazziotti
2010Journal of Chemical Physics89 citations
Semantic Scholar
The Theory of Ultra-Coarse-Graining. 2. Numerical Implementation.
Aram Davtyan, James F. Dama, Anton V. Sinitskiy, G. Voth
2014Journal of Chemical Theory and Computation65 citations
Semantic Scholar
Optimal number of coarse-grained sites in different components of large biomolecular complexes.
Anton V. Sinitskiy, Marissa G. Saunders, G. Voth
2012Journal of Physical Chemistry B57 citations
Semantic Scholar
Cations Stiffen Actin Filaments by Adhering a Key Structural Element to Adjacent Subunits
Glen M. Hocky, Joseph L. Baker, Michael J. Bradley, Anton V. Sinitskiy +2 more
2016Journal of Physical Chemistry B46 citations Open access
Semantic Scholar
Deep Neural Network Computes Electron Densities and Energies of a Large Set of Organic Molecules Faster than Density Functional Theory (DFT)
Anton V. Sinitskiy, V. Pande
201836 citations
Semantic Scholar
Can the ring polymer molecular dynamics method be interpreted as real time quantum dynamics
Seogjoo J. Jang, Anton V. Sinitskiy, G. Voth
201434 citations Open access
Semantic Scholar
Coarse-graining of proteins based on elastic network models
Anton V. Sinitskiy, G. Voth
2013International Conference on Principles and Practice of Constraint Programming30 citations
Semantic Scholar
Can We Quickly Learn to "Translate" Bioactive Molecules with Transformer Models?
Emma Tysinger, B. Rai, Anton V. Sinitskiy
2023Journal of Chemical Information and Modeling27 citations Open access
Semantic Scholar
Computationally Discovered Potentiating Role of Glycans on NMDA Receptors
Anton V. Sinitskiy, Nathaniel H. Stanley, David H. Hackos, Jesse E. Hanson +2 more
2016Scientific Reports26 citations Open access
Semantic Scholar
Highly Coarse-Grained Representations of Transmembrane Proteins
J. J. Madsen, Anton V. Sinitskiy, Jia-Ning Li, G. Voth
2017Journal of Chemical Theory and Computation23 citations Open access
Semantic Scholar
Computational IR Spectroscopy of Insulin Dimer Structure and Conformational Heterogeneity
Chi-Jui Feng, Anton V. Sinitskiy, V. Pande, A. Tokmakoff
2021Journal of Physical Chemistry B19 citations Open access
Semantic Scholar
Predictive Minisci late stage functionalization with transfer learning
E. King-Smith, Felix A. Faber, Usa Reilly, Anton V. Sinitskiy +4 more
2024Nature Communications18 citations Open access
Semantic Scholar
Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM).
Anton V. Sinitskiy, G. Voth
2017Journal of Chemical Physics17 citations Open access
Semantic Scholar
Simulated Dynamics of Glycans on Ligand-Binding Domain of NMDA Receptors Reveals Strong Dynamic Coupling between Glycans and Protein Core.
Anton V. Sinitskiy, V. Pande
2017Journal of Chemical Theory and Computation17 citations
Semantic Scholar
A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals.
Anton V. Sinitskiy, G. Voth
2015Journal of Chemical Physics13 citations
Semantic Scholar
Physical machine learning outperforms "human learning" in Quantum Chemistry
Anton V. Sinitskiy, V. Pande
201912 citations
Semantic Scholar
Intradomain interactions in an NMDA receptor fragment mediate N-glycan processing and conformational sampling
Ganesh P. Subedi, Anton V. Sinitskiy, Jacob T. Roberts, K. Patel +2 more
2018Structure12 citations Open access
Semantic Scholar
Computer Simulations Predict High Structural Heterogeneity of Functional State of NMDA Receptors
Anton V. Sinitskiy, V. Pande
2017bioRxiv12 citations Open access
Semantic Scholar
Phenomenological model of spin crossover in molecular crystals as derived from atom-atom potentials.
Anton V. Sinitskiy, A. Tchougréeff, R. Dronskowski
2011Physical Chemistry, Chemical Physics - PCCP9 citations
Semantic Scholar
Modeling molecular crystals formed by spin-active metal complexes by atom-atom potentials.
Anton V. Sinitskiy, A. Tchougréeff, A. M. Tokmachev, R. Dronskowski
2009Physical Chemistry, Chemical Physics - PCCP8 citations Open access
Semantic Scholar
Theoretical restrictions on longest implicit time scales in Markov state models of biomolecular dynamics.
Anton V. Sinitskiy, V. Pande
2017Journal of Chemical Physics7 citations Open access
Semantic Scholar
Predictive Minisci and P450 Late Stage Functionalization with Transfer Learning
E. King-Smith, Felix A. Faber, Usa Reilly, Anton V. Sinitskiy +4 more
20234 citations
Semantic Scholar
Real Science Is Harder Than Benchmarks: Evaluating Advanced AI Frameworks on Published Studies. I. Uncertainty Quantification, ML on Therapeutic Data Commons, and Agent-Based Modeling
M. O. Ahmed, Sahil A. Amale, Rhythm D. Bhavsar, Pratham Chopra +18 more
2026bioRxiv1 citations Open access
Semantic Scholar
Practical Use of Advanced AI Frameworks on Real-Life Scientific Problems: Three Case Studies
Halime S. A. Gulluoglu, Jibin Baby, Kirti M. Bagul, Bhuvan R. Basangari +17 more
2026bioRxiv1 citations Open access
Semantic Scholar
Glycan-Protein Interactions in NMDA Receptors Revealed with Computational Modeling and NMR Spectroscopy
Anton V. Sinitskiy, Ganesh P. Subedi, A. Barb, V. Pande
20180 citations Open access
Semantic Scholar
Specific Cation Binding Stiffens Actin Filaments by Adhering D-Loops to Adjacent Monomers
Glen M. Hocky, Joseph L. Baker, Michael J. Bradley, Anton V. Sinitskiy +2 more
20160 citations Open access
Semantic Scholar

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