Molecular dynamics simulations have evolved into a mature technique that can be used
effectively to understand macromolecular structure-to-function relationships. Present simulation …

We present parmbsc1, a force field for DNA atomistic simulation, which has been
parameterized from high-level quantum mechanical data and tested for nearly 100 systems (…

MDWeb and MDMoby constitute a web-based platform to help access to molecular dynamics
(MD) in the standard and high-throughput regime. The platform provides tools to prepare …

Last generation of force-fields are raising expectations on the quality of molecular dynamics
(MD) simulations of DNA, as well as to the belief that theoretical models can substitute …

We present a systematic study of the long-timescale dynamics of the Drew–Dickerson
dodecamer (DDD: d(CGCGAATTGCGC) 2 ) a prototypical B-DNA duplex. Using our newly …

The dynamics of proteins in aqueous solution has been investigated through a massive
approach based on “state of the art” molecular dynamics simulations performed for all protein …

One hundred cases of hypophosphataemia (≤ 2·0 mg/100 ml) and 84 cases of
hyperphosphataemia (≥ 5·0 mg/100 ml) occurring in a hospital population were studied in order to …

FlexServ is a web-based tool for the analysis of protein flexibility. The server incorporates
powerful protocols for the coarse-grained determination of protein dynamics using different …

20 (11%) of 181 nosocomial epidemics investigated by the Center for Disease Control
during 1956-75 were actually false outbreaks. In each pseudoepidemic, on-site investigation …

… health outcomes of hospital-based HCWs and formulate recommendations for future action.
… Hospitals should be staffed to meet service provision requirements and to mitigate the …