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Dmitry Nerukh
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引用次数
引用次数
年份
Self-assembly of trehalose molecules on a lysozyme surface: the broken glass hypothesis
MV Fedorov, JM Goodman, D Nerukh, S Schumm
Physical chemistry chemical physics 13 (6), 2294-2299, 2011
672011
Multidimensional quantum dynamics with trajectories: a novel numerical implementation of Bohmian mechanics
D Nerukh, JH Frederick
Chemical Physics Letters 332 (1-2), 145-153, 2000
652000
Multiscale modelling: approaches and challenges
S Karabasov, D Nerukh, A Hoekstra, B Chopard, PV Coveney
Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2014
582014
Individually adaptable automatic QT detector
YC Chesnokov, D Nerukh, RC Glen
2006 Computers in Cardiology, 337-340, 2006
572006
Disordered protein-graphene oxide co-assembly and supramolecular biofabrication of functional fluidic devices
Y Wu, BO Okesola, J Xu, I Korotkin, A Berardo, I Corridori, ...
Nature communications 11 (1), 1182, 2020
532020
All-atom molecular dynamics simulations of entire virus capsid reveal the role of ion distribution in capsid’s stability
E Tarasova, V Farafonov, R Khayat, N Okimoto, TS Komatsu, M Taiji, ...
The journal of physical chemistry letters 8 (4), 779-784, 2017
492017
Concurrent multiscale modelling of atomistic and hydrodynamic processes in liquids
A Markesteijn, S Karabasov, A Scukins, D Nerukh, V Glotov, V Goloviznin
Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2014
362014
All-atom molecular dynamics simulations of whole viruses
E Tarasova, D Nerukh
The journal of physical chemistry letters 9 (19), 5805-5809, 2018
292018
Complete virus capsid at all-atom resolution: Simulations using molecular dynamics and hybrid molecular dynamics/hydrodynamics methods reveal semipermeable membrane function
E Tarasova, I Korotkin, V Farafonov, S Karabasov, D Nerukh
Journal of Molecular Liquids 245, 109-114, 2017
292017
MS2 bacteriophage capsid studied using all-atom molecular dynamics
VS Farafonov, D Nerukh
Interface Focus 9 (3), 20180081, 2019
252019
A hybrid molecular dynamics/fluctuating hydrodynamics method for modelling liquids at multiple scales in space and time
I Korotkin, S Karabasov, D Nerukh, A Markesteijn, A Scukins, V Farafonov, ...
The Journal of Chemical Physics 143 (1), 2015
252015
Complexity of classical dynamics of molecular systems. I. Methodology
D Nerukh, G Karvounis, RC Glen
The Journal of chemical physics 117 (21), 9611-9617, 2002
252002
Simple one-electron invariants of molecular chirality
AV Luzanov, D Nerukh
Journal of mathematical chemistry 41 (4), 417-435, 2007
232007
Multiscale molecular dynamics/hydrodynamics implementation of two dimensional “Mercedes Benz” water model
A Scukins, D Nerukh, E Pavlov, S Karabasov, A Markesteijn
The European Physical Journal Special Topics 224 (12), 2217-2238, 2015
222015
Complex temporal patterns in molecular dynamics: A direct measure of the phase-space exploration by the trajectory at macroscopic time scales
D Nerukh, V Ryabov, RC Glen
Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 77 (3 …, 2008
222008
Ligand diffusion on protein surface observed in molecular dynamics simulation
D Nerukh, N Okimoto, A Suenaga, M Taiji
The journal of physical chemistry letters 3 (23), 3476-3479, 2012
212012
Identifying and correcting non-Markov states in peptide conformational dynamics
D Nerukh, CH Jensen, RC Glen
The Journal of chemical physics 132 (8), 2010
212010
Water network dynamics at the critical moment of a peptide’s β-turn formation: A molecular dynamics study
G Karvounis, D Nerukh, RC Glen
The Journal of chemical physics 121 (10), 4925-4935, 2004
212004
Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution
I Korotkin, D Nerukh, E Tarasova, V Farafonov, S Karabasov
Journal of Computational Science 17, 446-456, 2016
192016
Visualising and controlling the flow in biomolecular systems at and between multiple scales: from atoms to hydrodynamics at different locations in time and space
E Pavlov, M Taiji, A Scukins, A Markesteijn, S Karabasov, D Nerukh
Faraday discussions 169, 285-302, 2014
182014
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