2006
This folder holds the following references to publications, sorted by year and author.
There are 19 references in this bibliography folder.
Balog E, Smith J, and Perahia D (2006).
Conformational Heterogeneity and Low-Frequency Vibrational Modes of Proteins.
Physical Chemistry Chemical Physics, 8:5543-5548.
Baudry J (2006).
Van der Waals Interactions and Decrease of the Rotational Barrier of Methyl-size Rotators: A Theoretical Study.
Journal of the American Chemical Society, 128(34):11088-11093.
Bondar A, Smith J, and Fischer S (2006).
Structural and Energetic Determinants of Proton Transfer in Bacteriorhodopsin.
Photochemical and Photobiological Sciences, 5:547-552.
Efferth T, Schwarzl S, Smith J, and Osieka R (2006).
Role of Glucose-6-Phosphate Dehydrogenase for Oxidative Stress and Apoptosis.
Cell Death and Differentiation, 13:527-528.
Guo H, Wlodawer A, Nakayama T, Xu Q, and Guo H (2006).
Catalytic Role of Proton Transfers in the Formation of a Tetrahedral Adduct in a Serine Carboxyl Peptidase.
Biochemistry, 45(30):9129–9137.
Imhof P, Noé F, Fischer S, and Smith J (2006).
AM1/d Parameters for Magnesium in Metalloenzymes.
Journal of Chemical Theory and Computation, 2(4):1050–1056.
Koppole S, Smith J, and Fischer S (2006).
Simulations of the Myosin II Motor Reveal a Nucleotide-State Sensing Element that Controls the Recovery Stroke.
Journal of Molecular Biology, 361(3):604-616.
Kurkal-Siebert V, and Smith J (2006).
Low-Temperature Protein Physics: A Simulation Analysis of Interprotein Vibrations and the Boson Peak at 150K.
Journal of the American Chemical Society, 128(7):2356-2364.
Kurkal-Siebert V, Daniel R, Finney J, Tehei M, Dunn R, and Smith J (2006).
Enzyme Hydration, Activity and Flexibility: A Neutron Scattering Approach.
Journal of Noncrystalline Solids, 352(42-49):4387-4393.
Mesentean S, Fischer S, and Smith J (2006).
Analyzing Large-Scale Structural Change in Proteins: Comparison of Principal Component Projection and Sammon Mapping.
Proteins: Structure, Function and Bioinformatics, 64(1):210-218.
Moritsugu K, and Smith J (2006).
Temperature-Dependent Protein Dynamics: A Simulation-Based Probabilistic Diffusion-Vibration Langevin Description.
The Journal of Physical Chemistry B, 110(11):5807–5816.
Noé F, Krachtus D, Smith J, and Fischer S (2006).
Transition Networks for the Comprehensive Characterization of Complex Conformational Change in Proteins.
Journal of Chemical Theory and Computation, 2(3):840-857.
Noé F, Oswald M, Reinelt G, Fischer S, and Smith J (2006).
Computing Best Transition Pathways in High-Dimensional Dynamical Systems: Application to the αL ↔ β ↔ αR Transitions in Octaalanine.
Journal of Multiscale Modelling and Simulation, 5(2):393-419.
Schwarzl S, Smith J, and Fischer S (2006).
Insights into the Chemomechanical Coupling of the Myosin Motor from Simulation of its ATP Hydrolysis Mechanism.
Biochemistry, 45(18):5830-5847.
Smith J (2006).
Tight in Titin.
Structure, 14(3):389-390.
Smith J, Becker T, Fischer S, Noé F, Tournier A, Ullmann G, and Kurkal V (2006).
12.
In: Soft Condensed Matter Physics in Molecular and Cell Biology, ed. by W.C.K. Poon and D. Andelman. Taylor & Francis, chap. 12, pp. 225-241. (ISBN: 978-0750310239).
Tehei M, Smith J, Monk C, Ollivier J, Öttl M, Kurkal V, Finney J, and Daniel R (2006).
Dynamics of Immobilized and Native Escherichia coli Dihydrofolate Reductase by Quasieleastic Neutron Scattering.
Biophysical Journal, 90(3):1090-1097.
Walewski L, Krachtus D, Fischer S, Smith J, Bala P, and Lesyng B (2006).
SCC-DFTB Energy Barriers for Single and Double Proton Transfer Processes in the Model Molecular Systems Malonaldehyde and Porphycene.
International Journal of Quantum Chemistry, 106(3):636-640.
Xu Q, Guo H, Wlodawer A, and Guo H (2006).
The Importance of Dynamics in Substrate-Assisted Catalysis and Specificity.
Journal of the American Chemical Society, 128(18):5994–5995.
