Explore how the most successful operators are using a multitiered monitoring approach to optimize their capture rates and maximize returns.

Researchers at the Indian Institute of Science (IISc) and the California Institute of Technology (Caltech) have solved a long ...

A set of breakthroughs from scientists at the Department of Energy's Lawrence Berkeley National Laboratory (Berkeley Lab) is ...

Here’s a rundown on the winners and losers in the legislation muscled through Congress.

Molecular docking, free energy calculations, ADMETox studies, DFT analysis, and dynamic simulations highlighting a chromene glycoside as a potential inhibitor of PknG in Mycobacterium tuberculosis ...

To date, the structures for two major conformational states of MelB St have been resolved: the apo- or sugar-bound outward-facing (OF) state 16, 17, and the sugar-released, Na + -bound IF state 18.

Deciphering the free energy landscape of biomolecular structure space is crucial for understanding many complex molecular processes, such as protein-protein interaction, RNA folding, and protein ...

Free Energy Calculations Free energy is an important thermodynamic property that quantifies the relative likelihood of different states of a system. UFEDMM uses extended phase-space dynamics to ...

200ns long unbiased molecular dynamics started from the different free energy basins were started. These simulations have the expected stability based on their starting values (Figure 2—figure ...

The equilibrium stabilities and the folding rates of membrane-bound proteins are determined by hydrophobic and polar intermolecular contacts with their environment as well as by intramolecular packing ...