Sergei Izvekov
Sergei Izvekov
Scientist, Weapons and Materials Research Directorate, U.S. Army DEVCOM Army Research Laboratory
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A multiscale coarse-graining method for biomolecular systems
S Izvekov, GA Voth
The Journal of Physical Chemistry B 109 (7), 2469-2473, 2005
10752005
The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models
WG Noid, JW Chu, GS Ayton, V Krishna, S Izvekov, GA Voth, A Das, ...
The Journal of chemical physics 128 (24), 244114, 2008
7312008
Multiscale coarse graining of liquid-state systems
S Izvekov, GA Voth
The Journal of chemical physics 123 (13), 134105, 2005
6082005
Effective force fields for condensed phase systems from ab initio molecular dynamics simulation: A new method for force-matching
S Izvekov, M Parrinello, CJ Burnham, GA Voth
The Journal of chemical physics 120 (23), 10896-10913, 2004
4812004
The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models
WG Noid, P Liu, Y Wang, JW Chu, GS Ayton, S Izvekov, HC Andersen, ...
The Journal of chemical physics 128 (24), 244115, 2008
3552008
Special pair dance and partner selection: Elementary steps in proton transport in liquid water
O Markovitch, H Chen, S Izvekov, F Paesani, GA Voth, N Agmon
The Journal of Physical Chemistry B 112 (31), 9456-9466, 2008
3252008
Mixed atomistic and coarse-grained molecular dynamics: simulation of a membrane-bound ion channel
Q Shi, S Izvekov, GA Voth
The Journal of Physical Chemistry B 110 (31), 15045-15048, 2006
2632006
Coarse-grained peptide modeling using a systematic multiscale approach
J Zhou, IF Thorpe, S Izvekov, GA Voth
Biophysical journal 92 (12), 4289-4303, 2007
2072007
Modeling real dynamics in the coarse-grained representation of condensed phase systems
S Izvekov, GA Voth
The Journal of chemical physics 125 (15), 151101, 2006
2032006
Multiscale coarse-graining of ionic liquids
Y Wang, S Izvekov, T Yan, GA Voth
The Journal of Physical Chemistry B 110 (8), 3564-3575, 2006
1912006
Multiscale coarse-graining of mixed phospholipid/cholesterol bilayers
S Izvekov, GA Voth
Journal of chemical theory and computation 2 (3), 637-648, 2006
1692006
Systematic coarse-graining of nanoparticle interactions in molecular dynamics simulation
S Izvekov, A Violi, GA Voth
The Journal of Physical Chemistry B 109 (36), 17019-17024, 2005
1322005
Car–Parrinello molecular dynamics simulation of liquid water: New results
S Izvekov, GA Voth
The Journal of chemical physics 116 (23), 10372-10376, 2002
1322002
Ab initio molecular-dynamics simulation of aqueous proton solvation and transport revisited
S Izvekov, GA Voth
The Journal of chemical physics 123 (4), 044505, 2005
1192005
Efficient, regularized, and scalable algorithms for multiscale coarse-graining
L Lu, S Izvekov, A Das, HC Andersen, GA Voth
Journal of chemical theory and computation 6 (3), 954-965, 2010
1072010
The multiscale coarse-graining method: Assessing its accuracy and introducing density dependent coarse-grain potentials
S Izvekov, PW Chung, BM Rice
The Journal of chemical physics 133 (6), 064109, 2010
1012010
Multiscale coarse-graining of monosaccharides
P Liu, S Izvekov, GA Voth
The Journal of Physical Chemistry B 111 (39), 11566-11575, 2007
952007
Solvent-free lipid bilayer model using multiscale coarse-graining
S Izvekov, GA Voth
The Journal of Physical Chemistry B 113 (13), 4443-4455, 2009
922009
Ab initio molecular dynamics simulation of the Cu(110)–water interface
S Izvekov, A Mazzolo, K VanOpdorp, GA Voth
The Journal of Chemical Physics 114 (7), 3248-3257, 2001
892001
Ab initio molecular dynamics simulation of the Ag(111)-water interface
S Izvekov, GA Voth
The Journal of Chemical Physics 115 (15), 7196-7206, 2001
852001
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