- Molecular Simulation of ab Initio Protein Folding for a Millisecond Folder NTL9(1−39)
2010/01/13 by Vincent A. Voelz, Gregory R. Bowman, Kyle A. Beauchamp +1 · 2 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · Environmental Science · Chemistry · #Protein Structure and Dynamics #Enzyme Structure and Function #Bacteriophages and microbial interactions #Chemistry #Downhill folding #Molecular dynamics #Protein folding #Folding (DSP implementation) #Ab initio #Force field (fiction) #Mesoscopic physics #Statistical physics #Chemical physics #Markov chain #Phi value analysis #Millisecond #Computational chemistry #Biological system #Physics #Computer science
- Monte Carlo Simulations of Proteins in Cages: Influence of Confinement on the Stability of Intermediate States
2008/10/11 by Pedro Ojeda, Martı́n E. Garcia, Martin E. Garcia +2 · 2 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Physics and Astronomy · #Chemical physics #Chemistry #Contact order #Crystallography #Degrees of freedom (physics and chemistry) #Dipole #Downhill folding #Folding (DSP implementation) #Folding funnel #Lipid Membrane Structure and Behavior #Metastability #Native state #Phi value analysis #Physics #Protein Structure and Dynamics #Protein folding #Protein structure #Quantum mechanics #Ramachandran plot #Spectroscopy and Quantum Chemical Studies #Thermodynamics
- Heterogeneity Even at the Speed Limit of Folding: Large-scale Molecular Dynamics Study of a Fast-folding Variant of the Villin Headpiece
2007/10/02 by Daniel L. Ensign, Peter M. Kasson, Vijay S. Pande · 10 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · #Actin #Chemical physics #Chemistry #Computational chemistry #Computer science #Contact order #Crystallography #Downhill folding #Enzyme Structure and Function #Folding (DSP implementation) #Folding funnel #Markov chain #Molecular dynamics #Native state #Phi value analysis #Photosynthetic Processes and Mechanisms #Physics #Protein Structure and Dynamics #Protein folding #Quenching (fluorescence) #Relaxation (psychology) #Villin
- Protein folding under confinement: A role for solvent
2007/06/12 by Del Lucent, V. Vishal, Vijay S. Pande · 1 citation
Biochemistry, Genetics and Molecular Biology · Immunology and Microbiology · Chemistry · #Protein Structure and Dynamics #Heat shock proteins research #Toxin Mechanisms and Immunotoxins #Protein folding #Downhill folding #Phi value analysis #Chaperonin #Solvent #Chemical physics #Folding (DSP implementation) #Chemistry #Contact order #Lattice protein #Biophysics #Folding funnel #Native state #Villin #Nanopore #Molten globule #Unfolded protein response #Crystallography #Nanotechnology #Materials science #Biochemistry #Actin #Biology
- Very Fast Folding and Association of a Trimerization Domain from Bacteriophage T4 Fibritin
2004/02/26 by Sarah Güthe, Larisa Kapinos, Larisa E. Kapinos +5 · 29 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Environmental Science · Materials Science · #Bacteriophages and microbial interactions #Biochemistry #Biology #Biophysics #Chemistry #Contact order #Crystallography #Dimer #Downhill folding #Enzyme Structure and Function #Folding (DSP implementation) #Kinetics #Monomer #Phi value analysis #Physics #Protein Structure and Dynamics #Protein folding #Protein structure #Trimer
- Absolute comparison of simulated and experimental protein-folding dynamics
2002/10/20 by Christopher D. Snow, Houbi Nguyen, Vijay S. Pande +1 · 3 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · #Actin #Biological system #Biology #Chemical physics #Chemistry #Computational chemistry #Contact order #Downhill folding #Enzyme Structure and Function #Folding (DSP implementation) #Jump #Molecular dynamics #Phi value analysis #Physical chemistry #Physics #Protein Structure and Dynamics #Protein folding #Protein secondary structure #RNA and protein synthesis mechanisms #Relaxation (psychology) #Statistical physics #Temperature jump #Villin
- Protein folding funnels: a kinetic approach to the sequence-structure relationship.
1992/09/15 by Peter Leopold, M Montal, J.N. Onuchic · 10 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · Chemistry · Mathematics · #Protein Structure and Dynamics #Enzyme Structure and Function #RNA and protein synthesis mechanisms #Funnel #Folding funnel #Protein folding #Conformational isomerism #Folding (DSP implementation) #Downhill folding #Lattice protein #Contact order #Monte Carlo method #Kinetic energy #Chemistry #Statistical physics #Crystallography #Physics #Phi value analysis #Mathematics #Classical mechanics #Molecule