… key molecular chaperone involved in folding the synthesized protein and controlling protein
quality. Conformational dynamics coupled to ATPase activity … potential analysis revealed the …

… the structure, stability, and function of proteins [[59], [60], [61]]. Our finding revealed that with
… and behavior of rhKGF were also similar to the Sphingosine kinase 1 (SphK1) protein. As it …

… performed conventional molecular dynamics simulations and … These variations contribute
to irregular kinase activity and … Furthermore, our findings reveal that the typical K745–E762 …

… viable, the thermodynamic and kinetic properties of protein apo … ns in simulated protein ligand
molecular dynamics systems. … its kinase inhibiting activity against cyclin-dependent kinase, …

… Table 1 shows a list of ligands, the IC50 values determined … desolvation of the ligand is
thermodynamically non-favorable as … hydrogen bonds using molecular dynamics simulations [28]. …

… molecular dynamic simulation (MD), the present study investigated the architectural changes
of wild-type and mutants EGFR’s kinase … MD simulation revealed the formation of little more …

… Enthalpy and entropy changes are two significant thermodynamic factors accompanying …
Alignment of two structures falling into the energy basins I and II shows that two loops L2 …

… can be explained purely through thermodynamics. However, the more … how all-atom molecular
dynamics simulations using recent … agents for modulating kinase activity has been well …

… , molecular dynamics simulation of the enzyme MalL reveal … artifacts in the activation
mechanism of p38α MAP kinase.105 … key conformational and thermodynamic features, but also to …

… complex that is thermodynamically disadvantaged because … The structure reveals an
asymmetric complex of two FGFR3K … Consistent with our NMR data, molecular dynamics …