There is a small mutational load at these mutation rates under the conditions of the simulation, and this mutational load can be increased as selection is relaxed.
Integrating multiple-sequence and structural alignments with molecular dynamics simulations, electrostatic potential maps, and mutational data, we found that these elements always interact with the substrates, suggesting that they may play an active role for catalysis, in addition to their electrostatic contribution.
The equilibrium alleles of set E and their frequencies p y were determined using a single deterministic simulation for the appropriate selective and mutational parameter values.
Sequencing of the UV-induced lacZ′ mutants provided mutation spectra and mutational hot spots for the various UV regions.
Simulations with different numbers of genomes and mutational signatures demonstrate that the number of cancer catalogs required for accurately deciphering the signatures operative in them increases exponentially with the number of signatures.
We investigated the polymorphism of Aβ17-42 oligomers based on experimental data from steady-state NMR measurements, electron microscopy, two-dimensional hydrogen exchange, and mutational studies, using all-atom molecular-dynamics simulation with explicit solvent.
This structural insight, as well as the results of the uptake, cross-linking, labeling, and mutational experiments, and conformational changes of the NBD domains studied by molecular dynamics simulations, 1182) represent the basis for mechanistic hypotheses.
By using the HADDOCK docking program (see Methods), we performed a docking simulation to explore further the possible structural arrangements that are compatible with the interface residues identified from the NMR and mutational analyses.
Upper extremity anomalies in Pfeiffer syndrome and mutational correlations.
