Molecular Physics Dynamics of spontaneous mutations: implications of guanine–cytosine tautomers on chromatin integrity. By , 2 months ago
Molecular Physics Modeling the thermodynamic properties of cyclic alcohols with the SAFT-γ Mie approach: application to cyclohexanol and menthol systems. By , 2 months ago
Molecular Physics In-silico screening of Staphylococcus aureus antibacterial agents based on Isatin scaffold: QSAR, molecular docking, molecular dynamics simulation and DFT analysis. By , 2 months ago
Molecular Physics Phase diagram of NaCl–water by computer simulations: performance of non-polarizable force-fields. By , 2 months ago
Molecular Physics A computational study of possible mechanisms of singlet oxygen generation in miniSOG photoactive protein. By , 2 months ago
Molecular Physics QSPR prediction of the acidities of carboxylic acids and phenols with different approaches. By , 2 months ago
Molecular Physics Dimers between the hydrides LiH, BeH2, BH3, CH4, NH3, H2O and HF. By , 2 months ago
Molecular Physics Estimating vertical core-excitation energies from Møller–Plesset theory with spin projection. By , 2 months ago
Molecular Physics The presence of triple degeneracy in molecular potential energy surfaces can now be modelled using newly found analytical function. By F. George D Xavier Department of Chemistry, University of Coimbra, Coimbra, Portugal, 2 months ago
Molecular Physics Self-assembly of single species polygons with patchy models in 2D. By , 2 months ago