- Unraveling the Mystery of ATP Hydrolysis in Actin Filaments
2014/09/02 by Martin McCullagh, Marissa G. Saunders, Gregory A. Voth · 2 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · Chemistry · #Protein Structure and Dynamics #Cellular Mechanics and Interactions #Block Copolymer Self-Assembly #Chemistry #ATP hydrolysis #Protein filament #Actin #Hydrolysis #Metadynamics #Monomer #Biophysics #Biochemistry #Computational chemistry #Organic chemistry #Polymer #ATPase #Molecular dynamics #Enzyme
- Studying functional dynamics in bio-molecules using accelerated molecular dynamics
2011/01/01 by Phineus R. L. Markwick, J. Andrew McCammon · 1 citation
Biochemistry, Genetics and Molecular Biology · Physics and Astronomy · Chemistry · #Protein Structure and Dynamics #Spectroscopy and Quantum Chemical Studies #DNA and Nucleic Acid Chemistry #Molecular dynamics #Allosteric regulation #Millisecond #A priori and a posteriori #Computer science #Representation (politics) #Biological system #Protein dynamics #Reaction coordinate #Metadynamics #Scale (ratio) #Chemistry #Computational chemistry #Physics #Biology
- A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations
2009/08/06 by Fabrizio Marinelli, Fabio Pietrucci, Alessandro Laio +1 · 1 citation
Biochemistry, Genetics and Molecular Biology · Materials Science · Chemistry · #Protein Structure and Dynamics #Enzyme Structure and Function #RNA and protein synthesis mechanisms #Molecular dynamics #Chemistry #Microsecond #Chemical physics #Folding (DSP implementation) #Protein folding #Metadynamics #Kinetic energy #Work (physics) #Relaxation (psychology) #Globular protein #Molten globule #Crystallography #Computational chemistry #Thermodynamics #Physics