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Results:
1-19
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Results: 19
Authors:
van Gunsteren, WF
Burgi, P
Peter, C
Daura, X
Citation: Wf. Van Gunsteren et al., The key to solving the protein-folding problem lies in an accurate description of the denatured state, ANGEW CHEM, 40(2), 2001, pp. 351-355
Authors:
Burgi, R
Daura, X
Mark, A
Bellanda, M
Mammi, S
Peggion, E
van Gunsteren, W
Citation: R. Burgi et al., Folding study of an Aib-rich peptide in DMSO by molecular dynamics simulations, J PEPT RES, 57(2), 2001, pp. 107-118
Authors:
Peter, C
Daura, X
van Gunsteren, WF
Citation: C. Peter et al., Calculation of NMR-relaxation parameters for flexible molecules from molecular dynamics simulations, J BIOM NMR, 20(4), 2001, pp. 297-310
Authors:
Schafer, H
Daura, X
Mark, AE
van Gunsteren, WF
Citation: H. Schafer et al., Entropy calculations on a reversibly folding peptide: Changes in solute free energy cannot explain folding behavior, PROTEINS, 43(1), 2001, pp. 45-56
Authors:
Schuler, LD
Daura, X
Van Gunsteren, WF
Citation: Ld. Schuler et al., An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase, J COMPUT CH, 22(11), 2001, pp. 1205-1218
Authors:
de Groot, BL
Daura, X
Mark, AE
Grubmuller, H
Citation: Bl. De Groot et al., Essential dynamics of reversible peptide folding: Memory-free conformational dynamics governed by internal hydrogen bonds, J MOL BIOL, 309(1), 2001, pp. 299-313
Authors:
Hamprecht, FA
Peter, C
Daura, X
Thiel, W
van Gunsteren, WF
Citation: Fa. Hamprecht et al., A strategy for analysis of (molecular) equilibrium simulations: Configuration space density estimation, clustering, and visualization, J CHEM PHYS, 114(5), 2001, pp. 2079-2089
Authors:
Czechtizky, W
Daura, X
Vasella, A
van Gunsteren, W
Citation: W. Czechtizky et al., Oligonucleotide analogues with a nucleobase-including backbone part 7 - Molecular dynamics simulation of a DNA duplex containing a 2 '-deoxyadenosine8-(hydroxymethyl)-derived nucleotide, HELV CHIM A, 84(7), 2001, pp. 2132-2145
Authors:
van Gunsteren, W
Bakowies, D
Burgi, R
Chandrasekhar, I
Christen, M
Daura, X
Gee, P
Glattli, A
Hansson, T
Oostenbrink, C
Peter, C
Pitera, J
Schuler, L
Soares, T
Yu, HB
Citation: W. Van Gunsteren et al., Molecular dynamics simulation of biomolecular systems, CHIMIA, 55(10), 2001, pp. 856-860
Authors:
Daura, X
Gademann, K
Schafer, H
Jaun, B
Seebach, D
van Gunsteren, WF
Citation: X. Daura et al., The beta-peptide hairpin in solution: Conformational study of a beta-hexapeptide in methanol by NMR spectroscopy and MD simulation, J AM CHEM S, 123(10), 2001, pp. 2393-2404
Authors:
Oliva, B
Daura, X
Querol, E
Aviles, FX
Tapia, O
Citation: B. Oliva et al., A generalized Langevin dynamics approach to model solvent dynamics effectson proteins via a solvent-accessible surface. The carboxypeptidase A inhibitor protein as a model, THEOR CH AC, 105(2), 2000, pp. 101-109
Authors:
Daura, X
Haaksma, E
van Gunsteren, WF
Citation: X. Daura et al., Factor Xa: Simulation studies with an eye to inhibitor design, J COMPUT A, 14(6), 2000, pp. 507-529
Authors:
Seebach, D
Schreiber, JV
Abele, S
Daura, X
van Gunsteren, WF
Citation: D. Seebach et al., Structure and conformation of beta-oligopeptide derivatives with simple proteinogenic side chains: Circular dichroism and molecular dynamics investigations, HELV CHIM A, 83(1), 2000, pp. 34-57
Authors:
Peter, C
Daura, X
van Gunsteren, WF
Citation: C. Peter et al., Peptides of aminoxy acids: A molecular dynamics simulation study of conformational equilibria under various conditions, J AM CHEM S, 122(31), 2000, pp. 7461-7466
Authors:
Daura, X
Gademann, K
Jaun, B
Seebach, D
van Gunsteren, WF
Mark, AE
Citation: X. Daura et al., Peptide folding: When simulation meets experiment, ANGEW CHEM, 38(1-2), 1999, pp. 236-240
Authors:
Daura, X
Antes, I
van Gunsteren, WF
Thiel, W
Mark, AE
Citation: X. Daura et al., The effect of motional averaging on the calculation of NMR-derived structural properties, PROTEINS, 36(4), 1999, pp. 542-555
Authors:
Daura, X
van Gunsteren, WF
Mark, AE
Citation: X. Daura et al., Folding-unfolding thermodynamics of a beta-heptapeptide from equilibrium simulations, PROTEINS, 34(3), 1999, pp. 269-280
Authors:
Daura, X
Suter, R
van Gunsteren, WF
Citation: X. Daura et al., Validation of molecular simulation by comparison with experiment: Rotational reorientation of tryptophan in water, J CHEM PHYS, 110(6), 1999, pp. 3049-3055
Authors:
Daura, X
Mark, AE
van Gunsteren, WF
Citation: X. Daura et al., Peptide folding simulations: no solvent required?, COMP PHYS C, 123(1-3), 1999, pp. 97-102
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