scholarly journals The Coordination of Uranyl in Water: A Combined Quantum Chemical and Molecular Simulation Study.

ChemInform ◽  
2006 ◽  
Vol 37 (2) ◽  
Author(s):  
Daniel Hagberg ◽  
Gunnar Karlstroem ◽  
Bjoern O. Roos ◽  
Laura Gagliardi
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Quantum Chemical

scholarly journals The Coordination of Uranyl in Water:  A Combined Quantum Chemical and Molecular Simulation Study

2005 ◽  
Vol 127 (41) ◽  
pp. 14250-14256 ◽  
Author(s):  
Daniel Hagberg ◽  
Gunnar Karlström ◽  
Björn O. Roos ◽  
Laura Gagliardi
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Quantum Chemical

Monte Carlo Molecular Simulation Study of Carbon Dioxide Sequestration into Dry and Wet Calcite Pores Containing Methane

2021 ◽  
Author(s):  
Srikanth Ravipati ◽  
Mirella Simoes Santos ◽  
Ioannis G. Economou ◽  
Amparo Galindo ◽  
George Jackson ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Monte Carlo ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Carbon Dioxide Sequestration

scholarly journals Insight into the origin of SARS-CoV-2 through structural analysis of receptor recognition: a molecular simulation study

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8718-8729
Author(s):  
Jixue Sun ◽  
Meijiang Liu ◽  
Na Yang
Keyword(s):  
Molecular Dynamics ◽  
Structural Analysis ◽  
Molecular Dynamics Simulations ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Receptor Recognition ◽  
Dynamics Simulations ◽  
Insight Into

The origin of SARS-CoV-2 through structural analysis of receptor recognition was investigated by molecular dynamics simulations.

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