We have analysed enzyme catalysis through a re-examination of the reaction coordinate.
The ground state of the enzyme–substrate complex is shown to be related to the transition …

The biological activity of macromolecules is accompanied by rapid structural changes. The
photosensitivity of the carbon monoxide complex of myoglobin was used at the European …

The advent of laser-based sources of ultrafast infrared pulses has extended the study of very
fast molecular dynamics to the observation of processes manifested through their effects on …

Using molecular dynamics simulations and model graphene layers in an organic matrix we
demonstrate that interfacial thermal resistance determined via thermal relaxation method is …

We review various visible and UV‐resonance Raman experiments on model peptides such
as N‐methylacetamide and di‐and triglycine which are aimed at exploring the structure and …

Mode coupling in a protein molecule was studied by a molecular dynamics simulation of the
intramolecular vibrational energy transfer in myoglobin at near zero temperature. It was …

The (t∼ 0) photodissociation quantum yields (Y 0) of MbNO and MbO2 are measured to be
50±5 and 28±6%, respectively, using MbCO (Y 0= 100%) as a reference. When photolysis …

Ultrafast time-resolved resonance Raman spectra of carbonmonoxy hemoglobin (Hb),
nitroxy Hb, and deoxy Hb are compared to determine excited state decay mechanisms for …

Computational modeling can provide a wealth of insight into how energy flow in proteins
mediates protein function. Computational methods can also address fundamental questions …

The quest for capturing molecular movies of functional systems has motivated scientists and
engineers for decades. A fundamental understanding of electronic and nuclear motions, two …