39 research outputs found
Effective dynamics using conditional expectations
The question of coarse-graining is ubiquitous in molecular dynamics. In this
article, we are interested in deriving effective properties for the dynamics of
a coarse-grained variable , where describes the configuration of
the system in a high-dimensional space , and is a smooth function
with value in (typically a reaction coordinate). It is well known that,
given a Boltzmann-Gibbs distribution on , the equilibrium
properties on are completely determined by the free energy. On the
other hand, the question of the effective dynamics on is much more
difficult to address. Starting from an overdamped Langevin equation on , we propose an effective dynamics for using conditional
expectations. Using entropy methods, we give sufficient conditions for the time
marginals of the effective dynamics to be close to the original ones. We check
numerically on some toy examples that these sufficient conditions yield an
effective dynamics which accurately reproduces the residence times in the
potential energy wells. We also discuss the accuracy of the effective dynamics
in a pathwise sense, and the relevance of the free energy to build a
coarse-grained dynamics
Sorption of potassium on synthetic 4A zeolite from water and water-dimethyl sulphoxide (DMSO) mixtures
Carotid vessel changes and risk factors in patients receiving radiotherapy for head and neck cancers
Skull base plasmacytoma in a patient with light chain myeloma
Skull base involvement of plasmacytoma is reported in a patient with light chain myeloma. A 39-year-old man was admitted after experiencing paresthesia on the left side of the face and left arm, intermittent diplopia, and hoarseness for 2 years. Cranial magnetic resonance imaging revealed a large midline mass extending from the middle and posterior skull base into the upper two cervical vertebrae. An extramedullary plasmacytoma associated with light chain multiple myeloma was diagnosed after biopsy of the mass and laboratory investigations. The imaging findings and clinical features associated with this rare site of extramedullary plasmacytoma involvement are reported
Comparison of serum levels of CEA and CA 15–3 in triple-negative breast cancer at the time of metastases and serum levels at the time of first diagnosis
Phase II study of loading-dose ibandronate treatment in patients in breast cancer and bone metastases suffering from moderate to severe pain
WOS: 00020885200158
Phase II study of loading-dose ibandronate treatment in patients with breast cancer and bone metastases suffering from moderate to severe pain.
WOS: 00020885200158