Sentences with phrase «molecular modeling experiments»

Among several molecular scaffold candidates, 5 - aminoindole -2-carboxylic acid was selected since molecular modeling experiments showed that it meets the spatial requirements for the three key substituents.

Not exact matches

Based on their own experiments, they developed a mathematical model describing the molecular events underlying negative selection.

Another experiment, one designed by students, will observe fruit flies as a research model for learning how diseases work at the cellular and molecular levels.

IBS scientists measured the atomic and molecular motion of (Y, Lu) MnO3 crystals by inelastic neutron scattering experiments and also derived a new theoretical model to explain what they observed experimentally.

One possible solution, which our team has recently demonstrated for III - V photoelectrodes, is to model speciation of interfacial reaction products by coupling ambient - pressure X-ray photoelectron spectroscopy (XPS) experiments to direct simulations of XPS based on model interfaces from ab initio molecular dynamics.

After running additional experiments on DNA folding, Erez contacted the Molecular Graphics Laboratory (MGL) at The Scripps Research Institute: Could they produce a 3 - dimensional model based on Miriam's numerical simulations?

Subsequent validation experiments in model organisms will test if and how the elements pinpointed by the computational approaches are involved in changing molecular and morphological phenotypes.

A team at the Department of Energy's Oak Ridge National Laboratory has designed and synthesized a selective molecular trap that can separate the minor actinide element americium from a mixture of americium and the lanthanide elements, using europium as the model lanthanide in experiments.

«George was one of the first biophysicists who married experiments and theory by developing computational models of a bewildering variety of molecular machines — kinesin motor, flagellar rotary motor, RNA polymerase and protein translocation motors, «one - shot» actin polymerization motor and «slime - gun» motor of bacterial gliding,» Magilner said.

Our research requires integrating data and methods from comparative genomics, molecular developmental genetics, as well as physical experiments, mathematical modelling and numerical simulations.