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Structure (London, England : 1993)
|
April 20, 2010
Pi release from myosin: a simulation analysis of possible pathways
Marco Cecchini, Yuri Alexeev, Martin Karplus
The Journal of Physical Chemistry. A
|
January 6, 2006
Thermochemical properties of HxNO molecules and ions from ab initio electronic structure theory
David A Dixon, Joseph S Francisco, Yuri Alexeev
The Journal of Physical Chemistry. A
|
August 20, 2014
Effective ion mobility calculations for macromolecules by scattering on electron clouds
Yuri Alexeev, Dmitri G Fedorov, Alexandre A Shvartsburg
Methods in Molecular Biology (Clifton, N.J.)
|
February 5, 2020
Computational Methods for Biochemical Simulations Implemented in GAMESS
Dmitri G Fedorov, Hui Li, Vladimir Mironov, et al.
The Journal of Physical Chemistry. A
|
June 29, 2019
Molecular Electrostatic Potential and Electron Density of Large Systems in Solution Computed with the Fragment Molecular Orbital Method
Dmitri G Fedorov, Anton Brekhov, Vladimir Mironov, et al.
The Journal of Physical Chemistry. A
|
May 16, 2023
Exploring Parameter Redundancy in the Unitary Coupled-Cluster Ansätze for Hybrid Variational Quantum Computing
Shashank G Mehendale, Bo Peng, Niranjan Govind, et al.
Current Topics in Medicinal Chemistry
|
November 1, 2012
GAMESS as a free quantum-mechanical platform for drug research
Yuri Alexeev, Michael P Mazanetz, Osamu Ichihara, et al.
Journal of Computational Chemistry
|
October 29, 2018
A systematic study of minima in alanine dipeptide
Vladimir Mironov, Yuri Alexeev, Vikram Khipple Mulligan, et al.
Journal of Chemical Theory and Computation
|
June 13, 2025
Quantum Time Dynamics Mediated by the Yang-Baxter Equation and Artificial Neural Networks
Sahil Gulania, Yuri Alexeev, Stephen K Gray, et al.
Journal of Chemical Theory and Computation
|
September 14, 2019
Locating Minimum Energy Crossings of Different Spin States Using the Fragment Molecular Orbital Method
Danil S Kaliakin, Dmitri G Fedorov, Yuri Alexeev, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 34) with videos related to
Sort By:
Page
of 4
Structure (London, England : 1993)
|
April 20, 2010
Pi release from myosin: a simulation analysis of possible pathways
Marco Cecchini, Yuri Alexeev, Martin Karplus
The Journal of Physical Chemistry. A
|
January 6, 2006
Thermochemical properties of HxNO molecules and ions from ab initio electronic structure theory
David A Dixon, Joseph S Francisco, Yuri Alexeev
The Journal of Physical Chemistry. A
|
August 20, 2014
Effective ion mobility calculations for macromolecules by scattering on electron clouds
Yuri Alexeev, Dmitri G Fedorov, Alexandre A Shvartsburg
Methods in Molecular Biology (Clifton, N.J.)
|
February 5, 2020
Computational Methods for Biochemical Simulations Implemented in GAMESS
Dmitri G Fedorov, Hui Li, Vladimir Mironov, et al.
The Journal of Physical Chemistry. A
|
June 29, 2019
Molecular Electrostatic Potential and Electron Density of Large Systems in Solution Computed with the Fragment Molecular Orbital Method
Dmitri G Fedorov, Anton Brekhov, Vladimir Mironov, et al.
The Journal of Physical Chemistry. A
|
May 16, 2023
Exploring Parameter Redundancy in the Unitary Coupled-Cluster Ansätze for Hybrid Variational Quantum Computing
Shashank G Mehendale, Bo Peng, Niranjan Govind, et al.
Current Topics in Medicinal Chemistry
|
November 1, 2012
GAMESS as a free quantum-mechanical platform for drug research
Yuri Alexeev, Michael P Mazanetz, Osamu Ichihara, et al.
Journal of Computational Chemistry
|
October 29, 2018
A systematic study of minima in alanine dipeptide
Vladimir Mironov, Yuri Alexeev, Vikram Khipple Mulligan, et al.
Journal of Chemical Theory and Computation
|
June 13, 2025
Quantum Time Dynamics Mediated by the Yang-Baxter Equation and Artificial Neural Networks
Sahil Gulania, Yuri Alexeev, Stephen K Gray, et al.
Journal of Chemical Theory and Computation
|
September 14, 2019
Locating Minimum Energy Crossings of Different Spin States Using the Fragment Molecular Orbital Method
Danil S Kaliakin, Dmitri G Fedorov, Yuri Alexeev, et al.
Page
of 4