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- Coarse-Grained Model of Coil-to-Helix Kinetics Demonstrates the Importance of Multiple Nucleation
- Vol14No2April2004pp117260CurrentOpinioninStructuralBiology|MacromolecularassemblagesTheoryandsimulationELSEVIER Current Opinion in
- Vibrational Energy Relaxation of Isotopically Labeled Amide I Modes in Cytochrome c: Theoretical Investigation of Vibrational Energy Relaxation Rates and Pathways
- Vibrational population relaxation of carbon monoxide in the heme pocket of photolyzed carbonmonoxy
- Probing the Origins of Increased Activity of the E22Q "Dutch" Mutant Alzheimer's -Amyloid Peptide
- Anisotropic coarse-grained statistical potentials improve the ability to identify nativelike protein structures
- Journal of Molecular Graphics and Modelling 22 (2004) 441450 Continuous anisotropic representation of coarse-grained potentials
- A Study of Vibrational Relaxation of B-State Carbon Monoxide in the Heme Pocket of Photolyzed Carboxymyoglobin
- A Molecular Switch in Amyloid Assembly: Met35 and Amyloid
- Simulated annealing using coarse grained classical dynamics: Smoluchowski dynamics in the Gaussian density approximation
- Energy minimization using the classical density distribution: Application to sodium chloride clusters
- Probing the Initial Stage of Aggregation of the Ab10-35-protein: Assessing the Propensity for Peptide
- Simulation Study of the Structure and Dynamics of the Alzheimer's Amyloid Peptide Congener in Solution
- Orientation-dependent coarse-grained potentials derived by statistical analysis of molecular structural databases
- Charge states rather than propensity for -structure determine enhanced fibrillogenesis in wild-type
- Smart Darting Monte Carlo Ioan Andricioaeia)
- Efforts toward Developing Direct Probes of Protein Dynamics Matthew E. Cremeens, Hiroshi Fujisaki, Yong Zhang, Jorg Zimmermann, Laura B. Sagle,
- Vibrational energy relaxation in proteins Hiroshi Fujisaki and John E. Straub
- Long Time Dynamic Simulations: Exploring the
- BICH: "c472x_c015" --2005/10/19 --18:11 --page 301 --#1 Probing Vibrational Energy Relaxation in
- Energy Landscape Theory for Alzheimer's Amyloid -Peptide Fibril Elongation
- Response to ``Comment on a proposed method for finding barrier height distributions'' [J. Chem. Phys. 103, 1235 (1995)]
- Statistical-Temperature Monte Carlo and Molecular Dynamics Algorithms Jaegil Kim,* John E. Straub, and Thomas Keyes
- Monte Carlo simulations of polyalanine using a reduced model and statistics-based interaction potentials
- Aqueous urea solution destabilizes A 1622 oligomers D. K. Klimov*
- Orientational potentials extracted from protein structures improve native fold recognition
- Simulating Vibrational Energy Flow in Proteins: Relaxation Rate and Mechanism for Heme Cooling in Cytochrome c
- Vibrational Energy Relaxation of "Tailored" Hemes in Myoglobin Following Ligand Photolysis Supports Energy Funneling Mechanism of Heme "Cooling"
- Directed Energy "Funneling" Mechanism for Heme Cooling Following Ligand Photolysis or Direct Excitation in Solvated Carbonmonoxy Myoglobin
- Mean First-Passage Time Calculations for the Coil-to-Helix Transition: The Active Helix Ising Model
- Time scales and pathways for kinetic energy relaxation in solvated proteins: Application to carbonmonoxy myoglobin
- On Monte Carlo and molecular dynamics methods inspired by Tsallis statistics: Methodology, optimization, and application to atomic clusters
- Generalized simulated annealing algorithms using Tsallis statistics: Application to conformational optimization of a tetrapeptide
- Simulation study of the collapse of linear and ring homopolymers Jianpeng Ma and John E. Straub
- Structural and Dynamical Analysis of the Hydration of the Alzheimer's -Amyloid Peptide
- Direct Computation of Long Time Processes in Peptides and Proteins: Reaction Path Study of the Coil-to-Helix
- Physica A 305 (2002) 157171 www.elsevier.com/locate/physa
- Time-dependent perturbation theory for vibrational energy relaxation and dephasing in peptides and proteins
- The MaxFlux algorithm for calculating variationally optimized reaction paths for conformational transitions in many body
