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Frontiers in Pharmacology|January 22, 2016
Structural Insights into High Density Lipoprotein: Old Models and New FactsValentin GogoneaInternational Journal of Quantum Chemistry|June 6, 2015
[Fe-Fe]-hydrogenase Reactivated by Residue Mutations as Bridging Carbonyl Rearranges: A QM/MM StudyStefan Motiu, Valentin GogoneaThe Journal of Chemical Physics|December 3, 2008
A polarizable force-field model for quantum-mechanical-molecular-mechanical Hamiltonian using expansion of point charges into orbitalsP K Biswas, Valentin GogoneaBiomolecules|January 28, 2026
Steric and Electronic Effects in the Enzymatic Catalysis of Choline-TMA LyaseValentin Gogonea, Stanley L HazenFrontiers in Chemistry|December 31, 2024
Homogenous catalysis of peroxynitrite conversion to nitrate by diaryl selenide: a theoretical investigation of the reaction mechanismYuan Xue, Carrie Salmon, Valentin GogoneaBiochemistry|September 28, 2005
Completed three-dimensional model of human coagulation factor va. Molecular dynamics simulations and structural analysesTivadar Orban, Michael Kalafatis, Valentin GogoneaInternational Journal of Quantum Chemistry|February 18, 2010
Inactivation of [Fe-Fe]-Hydrogenase by O(2). Thermodynamics and Frontier Molecular Orbitals AnalysesDaniela Dogaru, Stefan Motiu, Valentin GogoneaInternational Journal of Quantum Chemistry|May 21, 2010
Residue Mutations in [Fe-Fe]-hydrogenase Impedes O(2) Binding: A QM/MM InvestigationDaniela Dogaru, Stefan Motiu, Valentin GogoneaInorganic Chemistry|November 16, 2023
Formation Mechanism of the Unsubstituted Chlorophosphazene Cl<sub>3</sub>P═NH: A Theoretical Study via Quantum Mechanical CalculationsCarrie Salmon, Yuan Xue, Valentin GogoneaPhysical Chemistry Chemical Physics : PCCP|June 16, 2026
Molecular insights into the effect of small molecule impurities in the ring-opening polymerization of [PCl<sub>2</sub>N]<sub>3</sub> using quantum mechanical analysisYuan Xue, Carrie R Salmon, Valentin GogoneaPageof 6