Anton Sinitskiy
Anton Sinitskiy
Verified email at stanford.edu
TitleCited byYear
The theory of ultra-coarse-graining. 1. General principles
JF Dama, AV Sinitskiy, M McCullagh, J Weare, B Roux, AR Dinner, ...
Journal of Chemical Theory and Computation 9 (5), 2466-2480, 2013
1012013
Strong correlation in hydrogen chains and lattices using the variational two-electron reduced density matrix method
AV Sinitskiy, L Greenman, DA Mazziotti
The Journal of chemical physics 133 (1), 014104, 2010
632010
Optimal number of coarse-grained sites in different components of large biomolecular complexes
AV Sinitskiy, MG Saunders, GA Voth
The Journal of Physical Chemistry B 116 (29), 8363-8374, 2012
482012
The theory of ultra-coarse-graining. 2. Numerical implementation
A Davtyan, JF Dama, AV Sinitskiy, GA Voth
Journal of Chemical Theory and Computation 10 (12), 5265-5275, 2014
342014
Structure and Lewis acid properties of gallia–alumina catalysts
YN Pushkar, A Sinitsky, OO Parenago, AN Kharlanov, EV Lunina
Applied surface science 167 (1), 69-78, 2000
342000
Can the ring polymer molecular dynamics method be interpreted as real time quantum dynamics?
S Jang, AV Sinitskiy, GA Voth
The Journal of Chemical Physics 140 (15), 154103, 2014
312014
Coarse-graining of proteins based on elastic network models
AV Sinitskiy, GA Voth
Chemical Physics 422, 165-174, 2013
192013
Cations Stiffen Actin Filaments by Adhering a Key Structural Element to Adjacent Subunits
GM Hocky, JL Baker, MJ Bradley, AV Sinitskiy, EM De La Cruz, GA Voth
The Journal of Physical Chemistry B 120 (20), 4558-4567, 2016
182016
Effective crystal field for trivalent first transition row ions
AV Sinitsky, MB Darhovskii, AL Tchougréeff, IA Misurkin
International journal of quantum chemistry 88 (4), 370-379, 2002
152002
Computationally Discovered Potentiating Role of Glycans on NMDA Receptors
AV Sinitskiy, NH Stanley, DH Hackos, JE Hanson, BD Sellers, VS Pande
Scientific Reports 7, 44578, 2017
122017
Highly Coarse-Grained Representations of Transmembrane Proteins
JJ Madsen, AV Sinitskiy, J Li, GA Voth
J. Chem. Theory Comput 13 (2), 935-944, 2017
92017
Modeling molecular crystals formed by spin-active metal complexes by atom–atom potentials
AV Sinitskiy, AL Tchougréeff, AM Tokmachev, R Dronskowski
Physical Chemistry Chemical Physics 11 (46), 10983-10993, 2009
92009
Deep neural network computes electron densities and energies of a large set of organic molecules faster than Density Functional Theory (DFT)
AV Sinitskiy, VS Pande
arxiv:1809.02723, 2018
82018
A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals
AV Sinitskiy, GA Voth
The Journal of chemical physics 143 (9), 094104, 2015
82015
Simulated Dynamics of Glycans on Ligand-Binding Domain of NMDA Receptors Reveals Strong Dynamic Coupling between Glycans and Protein Core
AV Sinitskiy, VS Pande
Journal of chemical theory and computation 13 (11), 5496-5505, 2017
72017
Phenomenological model of spin crossover in molecular crystals as derived from atom–atom potentials
AV Sinitskiy, AL Tchougréeff, R Dronskowski
Physical Chemistry Chemical Physics 13 (29), 13238-13246, 2011
72011
Theoretical restrictions on longest implicit time scales in Markov state models of biomolecular dynamics
AV Sinitskiy, VS Pande
The Journal of Chemical Physics 148 (4), 044111, 2018
42018
Computer Simulations Predict High Structural Heterogeneity of Functional State of NMDA Receptors
AV Sinitskiy, VS Pande
Biophysical Journal 115, 1-12, 2018
32018
Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM)
AV Sinitskiy, GA Voth
The Journal of chemical physics 148 (1), 014102, 2018
32018
Intradomain interactions in an NMDA receptor fragment mediate N-glycan processing and conformational sampling
GP Subedi, AV Sinitskiy, JT Roberts, KR Patel, VS Pande, AW Barb
Structure 27 (1), 55-65. e3, 2019
22019
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Articles 1–20