| 1 |
Analysis of calculated normal modes of a set of native and partially unfolded proteins
van Vlijmen HWT, Karplus M
Journal of Physical Chemistry B, 103(15), 3009, 1999 |
| 2 |
Alternative schemes for the inclusion of a reaction-field correction into molecular dynamics simulations : Influence on the simulated energetic, structural, and dielectric properties of liquid water
Hunenberger PH, van Gunsteren WF
Journal of Chemical Physics, 108(15), 6117, 1998 |
| 3 |
Structure of the amide I band of peptides measured by femtosecond nonlinear-infrared spectroscopy
Hamm P, Lim MH, Hochstrasser RM
Journal of Physical Chemistry B, 102(31), 6123, 1998 |
| 4 |
Large-Scale Simulation of Macromolecules in Solution - Combining the Periodic Fast Multipole Method with Multiple Time-Step Integrators
Figueirido F, Levy RM, Zhou RH, Berne BJ
Journal of Chemical Physics, 106(23), 9835, 1997 |
| 5 |
On the Presence of Rotational Ewald Artifacts in the Equilibrium and Dynamical Properties of a Zwitterionic Tetrapeptide in Aqueous-Solution
Smith PE, Blatt HD, Pettitt BM
Journal of Physical Chemistry B, 101(19), 3886, 1997 |
| 6 |
Semiconductor Surface Reconstruction - The Structural Chemistry of 2-Dimensional Surface-Compounds
Duke CB
Chemical Reviews, 96(4), 1237, 1996 |
| 7 |
Ewald Artifacts in Liquid-State Molecular-Dynamics Simulations
Smith PE, Pettitt BM
Journal of Chemical Physics, 105(10), 4289, 1996 |
| 8 |
F-19 Nuclear-Magnetic-Resonance Chemical-Shifts of Fluorine-Containing Aliphatic Amino-Acids in Proteins - Studies on Lactobacillus-Casei Dihydrofolate-Reductase Containing (2S,4S)-5-Fluoroleucine
Feeney J, Mccormick JE, Bauer CJ, Birdsall B, Moody CM, Starkmann BA, Young DW, Francis P, Havlin RH, Arnold WD, Oldfield E
Journal of the American Chemical Society, 118(36), 8700, 1996 |
| 9 |
Ab-Initio Study of the Effects of Torsion Angles on C-13 Nuclear-Magnetic-Resonance Chemical Shielding in N-Formyl-L-Alanine Amide, N-Formyl-L-Valine Amide, and Some Simple-Model Compounds - Applications to Protein NMR-Spectroscopy
Dedios AC, Oldfield E
Journal of the American Chemical Society, 116(12), 5307, 1994 |
| 10 |
Evaluating F-19 Chemical Shielding in Fluorobenzenes - Implications for Chemical-Shifts in Proteins
Dedios AC, Oldfield E
Journal of the American Chemical Society, 116(16), 7453, 1994 |
