By combining genomic, molecular and neuroanatomical evidence, these new results support sensory shifts and not just trade-offs during primate evolution.

Molecular dynamics is a method that uses Newton’s equations of motion to computationally simulate the time evolution of a set of interacting atoms. Such techniques are dependent on a description ...

Promoting Innovation Through Collaboration Research and training focused on diagnosis, treatment, prevention and clinical management of infectious disease, cancer, and metabolic and genetic disorders.

Aliphatic carbonyls widely exist in source emissions and the atmosphere, serving as secondary organic aerosol (SOA) precursors. Molecular structure including carbon number and functional groups ...

Methodical problems of coarse-grained-type molecular dynamics, namely, rigid-body molecular dynamics (RB MD), are studied by investigating the dynamics of nanosized molecular vehicles called nanocars ...

Project Status MDTraj is actively maintained by community members and representatives from Folding@Home, The Molecular Sciences Software Institute, and Open Force Field Initiative. We welcome new ...

In the era of petascale supercomputing, the importance of load balancing is crucial. Although dynamic load balancing is widespread, it is increasingly difficult to implement effectively with thousands ...