Using molecular dynamics simulations to evaluate active designs of cephradine hydrolase by molecular mechanics/Poisson–Boltzmann surface area and molecular mechanics/generalized Born surface area methods - RSC Advances (RSC Publishing)
SciELO - Brasil - Stochastic classical molecular dynamics coupled to functional density theory: applications to large molecular systems Stochastic classical molecular dynamics coupled to functional density theory: applications to large molecular systems
Molecular mechanics - Wikipedia
Computational Chemistry An Introduction to Molecular Dynamic Simulations
Molecular modeling methods at various scales. MO-molecular orbital;... | Download Scientific Diagram