Sentences with phrase «molecular mechanics»

The team first used molecular mechanics to identify the 3D conformation where the energy of the biomolecules would be the most stable.

Using a Nobel Prize - winning technique called QM / MM — quantum mechanics / molecular mechanics simulations - the Bristol research team were able to gain a molecular - level insight into how enzymes called «beta - lactamases» react to antibiotics.

He developed a rule - based molecular mechanics force field as a Miller Fellow at the University of California, Berkeley, and studied hydrogen / deuterium - exchange reactions in proteins as a postdoctoral fellow with Robert Baldwin at Stanford University School of Medicine.

Blackburn and UCSF psychologist Elissa Epel's work found that the most stressed - out women had shorter telomeres that translated into an extra decade or so of aging compared with their matched controls — showing that external stressors can throw a monkey wrench into the cell's molecular mechanics.

Why this is happening and the molecular mechanics of how it is happening are among the most intensively studied areas in medical research, and definitive answers have yet to emerge.

«We synthesized a new compound, demonstrated its effectiveness with biological data, and learned more about its interactions with proteins through X-ray crystallography and computational analysis,» says UConn associate professor of chemistry José Gascón, a specialist in quantum and molecular mechanics.

In order to understand the molecular mechanics of this process, the researchers referred to the computer model.

«In particular, here we've used combined quantum mechanics / molecular mechanics (QM / MM) methods, which allow us to study chemical reactions in proteins.

SAN JOSE, California — Like a molecular mechanic, David Baker has been tinkering under the hood of proteins for years to figure out how they work.

A team of researchers headed by Oliver Mühlemann at the University of Bern's Department of Chemistry and Biochemistry has now obtained valuable new insights into the molecular mechanics of this process.

The following years witnessed a wealth of studies that revealed the molecular mechanics of the signal recognition particle, illustrating how human diseases might result from faulty protein transport and how disease - causing viruses commandeer human cells to serve as virus factories, among other findings.

New Hybrid quantum mechanics / molecular mechanics (QM / MM) software must be capable of transparently combining accurate, scalable electronic structure methods with multilayer models, inclusion of environmental effects, and efficient dynamical sampling methods.

When you apply the IPCC constants to the standard model of atmospheric gasses in accordance with the proven chemical and physical properties, the molecular mechanics (see Periodic Table, looks like a calander with there x's as many days) of GHG's, it's easy to prove thE murder weapon was not the pipe wrench in the Library, the rope in the drawing room or the CO2 in the coke can.