- 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
- Atomistic protein folding simulations on the submillisecond time scale using worldwide distributed computing
2002/12/02 by Vijay S. Pande, Ian S. Baker, Jarrod Chapman +8 · 8 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · Chemistry · #Protein Structure and Dynamics #Enzyme Structure and Function #RNA and protein synthesis mechanisms #Protein folding #Molecular dynamics #Folding (DSP implementation) #Computer science #Bundle #Helix bundle #Villin #Computational science #Chemistry #Distributed computing #Biological system #Protein structure #Computational chemistry #Actin #Materials science
- 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