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Shaw, David E. - D. E. Shaw Research
Equipartition and the Calculation of Temperature in Biomolecular Simulations
A conserved protonation-dependent switch controls drug binding in the Abl kinase
Desmond User's Guide Desmond Version 2.4 /Document Version 0.5.1
DESRES/TR--2008-01 Desmond Performance on a Cluster of Multicore Processors
Accelerating Parallel Analysis of Scientific Simulation Data via Zazen Tiankai Tu,1
Desmond User's Guide Desmond Version 3.0 /Document Version 0.5.3
Dynamic control of slow water transport by aquaporin 0: Implications for hydration
Identification of two distinct inactive conformations of the 2-adrenergic receptor reconciles structural
Post-Silicon Debug Using Formal Verification Waypoints
Microsecond Molecular Dynamics Simulation Shows Effect of Slow Loop Dynamics on Backbone Amide Order Parameters of Proteins
A common, avoidable source of error in molecular dynamics integrators Ross A. Lippert, Kevin J. Bowers, Ron O. Dror, Michael P. Eastwood, Brent A. Gregersen,
The midpoint method for parallelization of particle simulations Kevin J. Bowers and Ron O. Dror
Desmond Tutorial Desmond Version 3.0 / Document Version 0.6
A Parallel Framework for Analyzing Molecular Dynamics Trajectories
A package for event detection and activity monitoring of MD trajectories
