Soroosh Pezeshki
机构: University of Colorado Denver
每年引用次数
引用次数
引用: 628
H-指数: 12
I10-指数 : 14
出版物: 23
Ion Transport through OmpF in Molecular Dynamics Simulations and Experiments
Ulrich Kleinekathöfer , Soroosh Pezeshki , Catalin Chimerel , Liviu Movileanu
Biophysical Journal 96 ( 3)
2009
Comparing the Temperature-Dependent Conductance of the Two Structurally Similar E. coli Porins OmpC and OmpF
István Biró , Soroosh Pezeshki , Helge Weingart , Mathias Winterhalter
Biophysical Journal 98 ( 9) 1830 -1839
42
2010
Adaptive-Partitioning Redistributed Charge and Dipole Schemes for QM/MM Dynamics Simulations: On-the-fly Relocation of Boundaries that Pass through Covalent Bonds.
Soroosh Pezeshki , Hai Lin
Journal of Chemical Theory and Computation 7 ( 11) 3625 -3634
33
2011
Specific Reaction Path Hamiltonian for Proton Transfer in Water: Reparameterized Semiempirical Models.
Xin Wu , Walter Thiel , Soroosh Pezeshki , Hai Lin
Journal of Chemical Theory and Computation 9 ( 6) 2672 -2686
33
2013
Adaptive-Partitioning QM/MM Dynamics Simulations: 3. Solvent Molecules Entering and Leaving Protein Binding Sites.
Soroosh Pezeshki , Christal Davis , Andreas Heyden , Hai Lin
Journal of Chemical Theory and Computation 10 ( 11) 4765 -4776
23
2014
Adaptive-partitioning QM/MM for molecular dynamics simulations: 4. Proton hopping in bulk water.
Soroosh Pezeshki , Hai Lin
Journal of Chemical Theory and Computation 11 ( 6) 2398 -2411
22
2015
Shaping femtosecond coherent anti-Stokes Raman spectra using optimal control theory.
Soroosh Pezeshki , Michael Schreiber , Ulrich Kleinekathöfer
Physical Chemistry Chemical Physics 10 ( 15) 2058 -2066
10
2008
Molecular dynamics simulations of ion solvation by flexible-boundary QM/MM: on-the-fly partial charge transfer between QM and MM subsystems.
Soroosh Pezeshki , Hai Lin
Journal of Computational Chemistry 35 ( 24) 1778 -1788
14
2014
Understanding Ion Conductance on a Molecular Level: An All-Atom Modeling of the Bacterial Porin OmpF
Soroosh Pezeshki , Catalin Chimerel , Andrey N. Bessonov , Mathias Winterhalter
Biophysical Journal 97 ( 7) 1898 -1906
78
2009
Charge transfer and polarization for chloride ions bound in ClC transport proteins: natural bond orbital and energy decomposition analyses.
Jonathan Church , Soroosh Pezeshki , Christal Davis , Hai Lin
Journal of Physical Chemistry B 117 ( 50) 16029 -16043
5
2013
Combined QM/MM Study of the Translocation of Chloride Ions through Escherichia Coli Chloride Ion Transporters
Christal R. Davis , Soroosh Pezeshki , Christina Garza , Hai Lin
Biophysical Journal 108 ( 2) 466a -467a
2015
Transport at the nanoscale: temperature dependence of ion conductance
Catalin Chimerel , Liviu Movileanu , Soroosh Pezeshki , Mathias Winterhalter
European Biophysics Journal 38 ( 1) 121 -125
57
2008
Recent developments in QM/MM methods towards open-boundary multi-scale simulations
Soroosh Pezeshki , Hai Lin
Molecular Simulation 41 168 -189
33
2015
QMMM 2018
Hai Lin , Yan Zhang , Soroosh Pezeshki , Bo Wang
University of Minnesota: Minneapolis, MN, USA
10
2018
QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations
Hai Lin , Yan Zhang , Soroosh Pezeshki , Adam W Duster
Computer Physics Communications 295 108987 -108987
7
2024
Recent progress in adaptive-partitioning QM/MM methods for Born-Oppenheimer molecular dynamics
Soroosh Pezeshki , Hai Lin
Quantum modeling of complex molecular systems 93 -113
17
2015
Study of the translocation of chloride ions through Escherichia coli transporters using the combined QM/MM method
Christal Davis , Soroosh Pezeshki , Christina Garza , Hai Lin
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249
2015
Molecular dynamics by flexible-boundary QM/MM: On-the-fly partial charge transfer between QM and MM subsystems
Soroosh Pezeshki , Hai Lin
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249
2015
Adaptive-partitioning QM/MM dynamics simulations of proton transfer
Soroosh Pezeshki , Hai Lin
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249
2015
Steered molecular dynamics with adaptive partitioning QM/MM
Soroosh Pezeshki , Hai Lin
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242
2011