Daniel L. Ensign
- 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
- Accelerating molecular dynamic simulation on graphics processing units
2009/02/03 by Mark S. Friedrichs, Peter Eastman, Vishal Vaidyanathan +6 · 6 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · Computer Science · Chemistry · Mathematics · #Protein Structure and Dynamics #Enzyme Structure and Function #Algorithms and Data Compression #Graphics #Computer science #Graphics processing unit #Computational science #General-purpose computing on graphics processing units #Molecular dynamics #Field (mathematics) #Molecular graphics #Atom (system on chip) #CUDA #Central processing unit #Computer graphics #Parallel computing #Computer graphics (images) #Chemistry #Computational chemistry #Computer hardware #Mathematics
- Enhanced Modeling via Network Theory: Adaptive Sampling of Markov State Models
2010/02/17 by Gregory R. Bowman, Daniel L. Ensign, Vijay S. Pande · 7 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · Mathematics · #Protein Structure and Dynamics #Machine Learning in Materials Science #Gene Regulatory Network Analysis #Computer science #Markov chain #Metric (unit) #Sampling (signal processing) #Markov process #Markov model #Convergence (economics) #Theoretical computer science #Algorithm #Statistical physics #Machine learning #Mathematics #Physics
- Folding@home: Lessons from eight years of volunteer distributed computing
2009/05/01 by Adam L. Beberg, Daniel L. Ensign, Guha Jayachandran +2 · 2 citations
Computer Science · Decision Sciences · Engineering · #Distributed and Parallel Computing Systems #Scientific Computing and Data Management #Parallel Computing and Optimization Techniques #Folding (DSP implementation) #Computer science #Distributed computing #Range (aeronautics) #Architecture #Computational science #Electrical engineering #Engineering #Aerospace engineering
- Accelerating molecular dynamic simulation on the cell processor and Playstation 3
2008/07/09 by Edgar Luttmann, Daniel L. Ensign, Vishal Vaidyanathan +6 · 2 citations
Computer Science · Engineering · Chemistry · #Error Correcting Code Techniques #Advanced Memory and Neural Computing #Cellular Automata and Applications #Computer science #Parallel computing #Computation #Molecular dynamics #Coprocessor #Power (physics) #Computational science #Solvation #Computer architecture #Chemistry #Physics #Computational chemistry
- Combining Molecular Dynamics with Bayesian Analysis To Predict and Evaluate Ligand-Binding Mutations in Influenza Hemagglutinin
2009/07/28 by Peter M. Kasson, Daniel L. Ensign, Vijay S. Pande · 1 citation
Medicine · Biochemistry, Genetics and Molecular Biology · Chemistry · #Influenza Virus Research Studies #Protein Structure and Dynamics #Monoclonal and Polyclonal Antibodies Research #Hemagglutinin (influenza) #Allosteric regulation #Influenza A virus #Mutant #Mutagenesis #Computational biology #Chemistry #Glycan #Ligand (biochemistry) #Influenza A virus subtype H5N1 #Biology #Virology #Virus #Receptor #Gene #Biochemistry #Glycoprotein
- Quantitative comparison of villin headpiece subdomain simulations and triplet–triplet energy transfer experiments
2011/07/18 by Kyle A. Beauchamp, Daniel L. Ensign, Rhiju Das +1 · 1 citation
Biochemistry, Genetics and Molecular Biology · Materials Science · Chemistry · #Protein Structure and Dynamics #Enzyme Structure and Function #RNA and protein synthesis mechanisms #Markov chain #Folding (DSP implementation) #Molecular dynamics #Triplet state #Protein folding #Energy transfer #Chemistry #Statistical physics #Chemical physics #Computer science #Physics #Molecule #Computational chemistry