A hierarchical quantum mechanical and classical simulation of biological ion channels. I aim to develop a methodology incorporating molecular quantum
mechanics and classical Brownian mechanics in a way that can be
applied practically to large macromolecular systems, thus relating
fine structural details to experimentally measurable
properties. Specifically, I will apply this methodology to study ion
channels in which the challenge is to relate electronic and atomic
structure to the conduct ....A hierarchical quantum mechanical and classical simulation of biological ion channels. I aim to develop a methodology incorporating molecular quantum
mechanics and classical Brownian mechanics in a way that can be
applied practically to large macromolecular systems, thus relating
fine structural details to experimentally measurable
properties. Specifically, I will apply this methodology to study ion
channels in which the challenge is to relate electronic and atomic
structure to the conductance properties of the channel. Accurately
determining these relationships provides a pathway to developing cures
for many neurological, cardiac, and muscular diseases.
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Developing an Essential Research Platform for the Molecular Engineering of Photosystem II. Sunlight reaching the earth is used by plants and algae to drive photosynthesis and to store chemical energy. Possibly the most fundamental contribution photosynthesis makes to earth is to generate gaseous oxygen, the result of solar driven water-splitting chemistry. However, the mechanism behind water-splitting is not exactly known. In this proposal we will construct a new model cyanobacteria host to stu ....Developing an Essential Research Platform for the Molecular Engineering of Photosystem II. Sunlight reaching the earth is used by plants and algae to drive photosynthesis and to store chemical energy. Possibly the most fundamental contribution photosynthesis makes to earth is to generate gaseous oxygen, the result of solar driven water-splitting chemistry. However, the mechanism behind water-splitting is not exactly known. In this proposal we will construct a new model cyanobacteria host to study water splitting. The host organism will be genetically modified to enable mechanistic questions of water oxidation to be tested and will provide new and pure forms of isolated protein. This model organism will provide team of international researchers with a remarkable tool new to study photosynthesis.Read moreRead less