Wilfred F. van Gunsteren

Folding-unfolding thermodynamics of a ?-heptapeptide from equilibrium simulations

Xavier Daura, Wilfred F. van Gunsteren, Alan E. Mark · Proteins Structure Function and Bioinformatics · 1999 · 390 citations · Full text

Decomposition of the Free Energy of a System in Terms of Specific Interactions

Alan E. Mark, Wilfred F. van Gunsteren · Journal of Molecular Biology · 1994 · 305 citations

Free Energy, Dynamic Equilibrium, Specific Interactions +3

Entropy calculations on a reversibly folding peptide: Changes in solute free energy cannot explain folding behavior

H. -J. Sch�fer, Xavier Daura, Alan E. Mark et al. · Proteins Structure Function and Bioinformatics · 2001 · 107 citations · Full text

Free Energy, Total Peptide Entropy, Protein Assembly +17

Structure and Conformation ofβ-Oligopeptide Derivatives with Simple Proteinogenic Side Chains: Circular Dichroism and Molecular Dynamics Investigations

Dieter Seebàch, Jürg V. Schreiber, Stefan Abele et al. · Helvetica Chimica Acta · 2000 · 97 citations

Protein Chemistry, Biochemistry, Natural Sciences +15

Can the stability of protein mutants be predicted by free energy calculations?

Yunyu Shi, Alan E. Mark, Cunxin Wang et al. · Protein Engineering Design and Selection · 1993 · 88 citations