Molecular evolution is the area of evolutionary biology that studies evolutionary change at the level of the DNA sequence. It includes the study of rates of sequence change, relative importance of ...

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 ...

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 users and ...

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 ...

We exploit gas-phase cluster ion techniques to provide insight into the local interactions underlying divalent metal ion-driven changes in the spectra of carboxylic acids at the air–water interface.