Molecular Simulation

Prediction of the stability of coiled coils using molecular dynamics simulations
pp. 463-473(11)
Authors: Lee, H.; Larson, R. G.

Evaluating the stability of disulfide bridges in proteins: a torsional potential energy surface for diethyl disulfide
pp. 475-485(11)
Authors: Haworth, N. L.; Gready, J. E.; George, R. A.; Wouters, M. A.

A computational H5N1 neuraminidase model and its binding to commercial drugs
pp. 487-493(7)
Authors: Nimmanpipug, P.; Jitonnom, J.; Ngaojampa, C.; Hannongbua, S.; Lee, V. S.

Binding mode analysis between membrane dipeptidase and its substrates
pp. 495-503(9)
Authors: Kim, M.; Kim, J.; Jung, E.; Choi, K.; Shin, J. -M.; Kang, S. -K.; Kim, M. -K.; Choi, Y. -J.; Choi, S. -H.

Excluded volume of hard cylinders of variable aspect ratio
pp. 505-515(11)
Authors: Ibarra-Avalos, N.; Gil-Villegas, A.; Richa, A. Martinez

QSAR study of oxazolidinone antibacterial agents using artificial neural networks
pp. 517-530(14)
Authors: Zou, C.; Zhou, L.

Quantum chemical insight on vibration spectra of silica systems
pp. 531-540(10)
Authors: Khavryuchenko, V. D.; Khavryuchenko, O. V.; Lisnyak, V. V.

Monte Carlo simulation of the double layer at an electrode including the effect of a dielectric boundary
pp. 541-547(7)
Authors: Alawneh, M.; Henderson, D.