Introduction: Breast cancer is one of the most common malignancies among Iranian women. Nowadays, the use of traditional medicinal plants has emerged as a tempting complementary to the treatment of breast cancer due to minimal side effects and less documented drug resistance. The aim of this study was to examine the anticancer effects of the essential oils of red clover and mature fruit of Bass...

Introduction: Breast cancer is one of the most common malignancies among Iranian women. Nowadays, the use of traditional medicinal plants has emerged as a tempting complementary to the treatment of breast cancer due to minimal side effects and less documented drug resistance. The aim of this study was to examine the anticancer effects of the essential oils of red clover and mature fruit of Bass...

By performing a stochastic dynamic in a space of Slater determinants, the full configuration interaction quantum Monte Carlo (FCIQMC) method has been able to obtain energies which are essentially free from systematic error to the basis set correlation energy, within small and systematically improvable error bars. However, the weakly exponential scaling with basis size makes converging the energ...

Small soluble oligomers, and dimers in particular, of the amyloid β-peptide (Aβ) are believed to play an important pathological role in Alzheimer's disease. Here, we investigate the spontaneous dimerization of Aβ42, with 42 residues, by implicit solvent all-atom Monte Carlo simulations, for the wild-type peptide and the mutants F20E, E22G and E22G/I31E. The observed dimers of these variants sha...

Gibbs ensemble Monte Carlo simulations were used to test the ability of intermolecular pair potentials derived ab initio from quantum mechanical principles, enhanced by Axilrod-Teller triple-dipole interactions, to predict the vapor-liquid phase equilibria of pure neon, pure argon, and the binary mixtures neon-argon and argon-krypton. The interaction potentials for Ne-Ne, Ar-Ar, Kr-Kr, and Ne-A...