Add to ORKGABSTRACT In this article we use the perturbed matrix method and an extended molecular dynamics sampling of the carbon monoxide (CO) in the myoglobin distal pocket to characterize the CO vibrational spectrum and hence to relate its spectroscopic features with the atomic-molecular behavior. Results show the accuracy of the method employed and confirm the assignment of the spectroscopic B1 and B2 states proposed by Lim et al
In this work we study the temperature dependence of the Soret band lineshape of the carbonmonoxy der...
The results of extended (80-ns) molecular dynamics simulations of wild-type and YQR triple mutant of...
AbstractInfrared spectra of heme-bound CO in sperm whale carbonmonoxy myoglobin and two mutants (H64...
In this article we use the perturbed matrix method and an extended molecular dynamics sampling of th...
AbstractIn this article we use the perturbed matrix method and an extended molecular dynamics sampli...
ABSTRACT The vibrational energy relaxation of dissociated carbon monoxide in the heme pocket of sper...
AbstractThe vibrational energy relaxation of dissociated carbon monoxide in the heme pocket of sperm...
AbstractThe early diffusion processes of a photodissociated ligand (carbon monoxide) in sperm whale ...
A computational study of the vibrational frequency of carbon monoxide bound to myoglobin has been re...
We report the results of an extended molecular dynamics simulation on the migration of photodissocia...
We report the results of an extended molecular dynamics simulation on the migration of photodissocia...
AbstractWe report the results of an extended molecular dynamics simulation on the migration of photo...
Six 90-ps molecular dynamics trajectories, two for each of three distal mutants of sperm whale carbo...
Molecular dynamics simulation is used to study the photodissociation of the ligand carbon monoxide f...
This thesis discusses the solution structure and function of sperm whale myoglobin. The solution str...
In this work we study the temperature dependence of the Soret band lineshape of the carbonmonoxy der...
The results of extended (80-ns) molecular dynamics simulations of wild-type and YQR triple mutant of...
AbstractInfrared spectra of heme-bound CO in sperm whale carbonmonoxy myoglobin and two mutants (H64...
In this article we use the perturbed matrix method and an extended molecular dynamics sampling of th...
AbstractIn this article we use the perturbed matrix method and an extended molecular dynamics sampli...
ABSTRACT The vibrational energy relaxation of dissociated carbon monoxide in the heme pocket of sper...
AbstractThe vibrational energy relaxation of dissociated carbon monoxide in the heme pocket of sperm...
AbstractThe early diffusion processes of a photodissociated ligand (carbon monoxide) in sperm whale ...
A computational study of the vibrational frequency of carbon monoxide bound to myoglobin has been re...
We report the results of an extended molecular dynamics simulation on the migration of photodissocia...
We report the results of an extended molecular dynamics simulation on the migration of photodissocia...
AbstractWe report the results of an extended molecular dynamics simulation on the migration of photo...
Six 90-ps molecular dynamics trajectories, two for each of three distal mutants of sperm whale carbo...
Molecular dynamics simulation is used to study the photodissociation of the ligand carbon monoxide f...
This thesis discusses the solution structure and function of sperm whale myoglobin. The solution str...
In this work we study the temperature dependence of the Soret band lineshape of the carbonmonoxy der...
The results of extended (80-ns) molecular dynamics simulations of wild-type and YQR triple mutant of...
AbstractInfrared spectra of heme-bound CO in sperm whale carbonmonoxy myoglobin and two mutants (H64...