A. E. Mark

Inclusion of ionization states of ligands in affinity calculations (2009)

Donnini, S., Villa, A., Groenhof, G., Mark, A. E., Wierenga, R. K., Juffer, A. H.

Inclusion of ionization states of ligands in affinity calculations. (2009)

Donnini, S., Villa, A., Groenhof, G., Mark, A. E.

Maps. Springer, 2001. (2008)

R. Agrawal, J. Gehrke, D. Gunopulos, N. Allinson, H. Yin, L. Allinson, ...

[4] A. Amadei, A.B.M. Linssen, and H.J.C. Berendsen. Essential dynamics of proteins.

Toroidal pores formed by antimicrobial peptides show significant disorder (2008)

Sengupta, D., Leontidaou, H., Mark, A.E.

Calcium binding to the purple membrane: A molecular dynamics study (2008)

Wassenaar, T.A., Daura, X., Padros, E., Mark, A.E.

Refining homology models by combining replica-exchange molecular dynamics and statistical potentials (2008)

Zhu, J., Fan, H., Periole, X., Honig, B., Mark, A.E.

Molecular simulation as an aid to experimentalists (2008)

Van Gunsteren, W.F., Dolenc, J., Mark, A.E.

Application of mean field boundary potentials in simulations of lipid vesicles (2008)

Risselada, H.J., Mark, A.E., Marrink, S.J.

The Cys3-Cys4 loop of the hydrophobin EAS is not required for rodlet formation and surface activity (2008)

Kwan, A. H., Macindoe, I., Vukasin, P. V., Morris, V. K., Kass, I., Gupte, R., ...

Class I hydrophobins are fungal proteins that self-assemble into robust amphipathic rodlet monolayers on the surface of aerial structures such as spores and fruiting bodies. These layers share many...

The structure of a two-disulfide intermediate assists in elucidating the oxidative folding pathway of a cyclic cystine knot protein (2008)

Cemazar, M., Joshi, A., Daly, N. L., Mark, A. E., Craik, D. J.

We have determined the three-dimensional structure of a two-disulfide intermediate (Cys8-Cys20, Cys14-Cys26) on the oxidative folding pathway of the cyclotide MCoTI-II. Cyclotides have a range of...

Dynamic conformations of flavin adenine dinucleotide : simulated molecular dynamics of the flavin cofactor related to time-resolved fluorescence characteristics (2002)

Feenstra, K.A., Mark, A.E., Berendsen, H.J.C.

Molecular dynamics (MD) simulations and polarized subnanosecond time-resolved flavin fluorescence spectroscopy have been used to study the conformational dynamics of the flavin adenine dinucleotide...