Pub. Date : 2016 Apr 14
PMID : 26983558
3 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | Crystallization of ice from deeply supercooled water and amorphous ices - a process of fundamental importance in the atmosphere, interstellar space, and cryobiology - results in stacking disordered ices with a wide range of metastabilities with respect to hexagonal ice. | Water | carboxylesterase 2 | Homo sapiens |
| 2 | Here we use molecular dynamics simulations with the mW water model to characterize the structure of ice freshly grown from supercooled water at temperatures from 210 to 270 K, the thermodynamics of stacking faults, line defects, and interfaces, and to elucidate the interplay between kinetics and thermodynamics in determining the structure of ice. | Water | carboxylesterase 2 | Homo sapiens |
| 3 | The free energy cost for creating a pair of cubic layers in ice is 8.0 J mol(-1) in experiments, and 9.7 +- 1.9 J mol(-1) for the mW water model. | Water | carboxylesterase 2 | Homo sapiens |