Topic: Algorithms
Journal: The Journal of Physical Chemistry. B
Documents
A list of abstracts that contain a topic of "Algorithms" and a journal name of "The Journal of Physical Chemistry. B".
Nonadiabatic Effects in the Two-dimensional Infrared Spectra of Peptides: Application to Alanine Dipeptide.
PMID: 17092043
One-dimensional Free-energy Profiles of Complex Systems: Progress Variables That Preserve the Barriers.
PMID: 16800603
Leading Rna Tertiary Interactions: Structures, Energies, and Water Insertion of A-minor and P-interactions. A Quantum Chemical View.
PMID: 17602515
Quantitative Characterization of Changes in Dynamical Behavior for Single-particle Tracking Studies.
PMID: 17020359
Theoretical Study on Cdk2 Inhibitors Using a Global Softness Obtained from the Density of States.
PMID: 17388447
Mean Activity Coefficient of Electrolyte Solutions.
PMID: 17388469
Static Normal Coordinate Deformations of the Heme Group in Mutants of Ferrocytochrome C from Saccharomyces Cerevisiae Probed by Resonance Raman Spectroscopy.
PMID: 17508736
Absolute Free-energy Calculations of Liquids Using a Harmonic Reference State.
PMID: 17655215
Collective Fluctuations in Ordered Fluids Investigated by Two-dimensional Electron-electron Double Resonance Spectroscopy.
PMID: 17125397
Computational Study on the Relative Acidity of Acetic Acid by the Qm/Mm Method Combined with the Theory of Energy Representation.
PMID: 17228916
Molecular Depth Profiling with Cluster Ion Beams.
PMID: 16623517
Dna and Estrogen Receptor Interaction Revealed by Fragment Molecular Orbital Calculations.
PMID: 17649990
Structure and Hydrogen Bonding in Neat N-methylacetamide: Classical Molecular Dynamics and Raman Spectroscopy Studies of a Liquid of Peptidic Fragments.
PMID: 16494418
Inhibitor Binding by Metallo-beta-lactamase Imp-1 from Pseudomonas Aeruginosa: Quantum Mechanical/Molecular Mechanical Simulations.
PMID: 17663582
Properties of 1,8-cineole: a Thermophysical and Theoretical Study.
PMID: 17388451
The Guanine Cation Radical: Investigation of Deprotonation States by Esr and Dft.
PMID: 17125389