Long timestep dynamics of peptides by the dynamics driver approach

Keyphrases

• Oligoalanine 100%
• Dynamic Driver 100%
• Tetrapeptide 66%
• Intrinsic Damping 33%
• Continuous Trajectory 33%
• Explicit Scheme 33%
• Small Peptides 33%
• Previous Experience 33%
• Unfolding Method 33%
• Biomolecules 33%
• Alanine Dipeptide 33%
• Explicit Discretization 33%
• Integration Method 33%
• Dynamic Simulation 33%
• Vibrational Coupling 33%
• Boltzmann Statistics 33%
• Damping Effect 33%
• Small Systems 33%
• Folding-unfolding 33%
• Dipeptide 33%
• Molecular Profiling 33%
• Frequency Mode 33%
• Langevin Equation 33%
• CPU Time 33%
• Implicit Method 33%
• Dynamic Function 33%
• Butane 33%
• Coupling Frequency 33%

Engineering

• Model System 100%
• Integration Method 50%
• Helical Structure 50%
• Damping Effect 50%
• Implicit Method 50%
• Biomolecule 50%
• Boltzmann Statistic 50%
• Explicit Scheme 50%
• Nanosecond 50%

Chemistry

• Tetrapeptide 66%
• Dipeptide 66%
• Computer Simulation 33%
• Alanine 33%
• Langevin Equation 33%
• Helical Structure 33%
• Molecular Property 33%