Abstract. Identifying the structure of unknown molecules is an important activity in the pharmaceutical industry where it underpins the production of new drugs and the analysis of ...
Caroline Farrelly, Douglas B. Kell, Joshua D. Know...
Molecular Dynamics applications enhance our understanding of biological phenomena through bio-molecular simulations. Large-scale parallelization of MD simulations is challenging b...
— Biomolecular simulations play a key role in the study of complex biological processes at microscopic levels in which macromolecules such as proteins are involved. The simulatio...
Yudong Sun, Steve McKeever, Kia Balali-Mood, Mark ...
Multi-state molecules and multi-component complexes are commonly involved in cellular signaling. Accounting for molecules that have multiple potential states, such as a protein tha...
: Mass spectrometry is one of the key enabling measurement technologies for systems biology, due to its ability to quantify molecules in small concentrations. Tandem mass spectrome...