Research in our laboratory focuses on using computer modeling and simulation techniques, such as molecular docking and molecular dynamics, to study interactions of drugs and other small molecules with membrane associated and water soluble proteins of biomedical significance. In particular, we have been using atomistic computational models to reveal molecular mechanisms of voltage-gated sodium and potassium channel ion conduction and drug binding: Voltage-gated sodium (NaV), potassium (KV) and calcium (CaV) channels are integral membrane transport proteins, which are crucial components of electrical signaling in excitable cells and are key targets for therapeutics used for cardiac and neurological disorders. In a collaborative NIH funded study led by Prof. Colleen Clancy we use multi-scale modeling approaches to develop in silico predictive safety pharmacology for drugs, affecting functions of cardiac voltage-gated ion channel proteins KV11.1 (also known as hERG), NaV1.5 and CaV1.2. Channel state-specific drug affinities, entry and egress kinetics are computed from our all-atom simulations and used to populate multi-scale functional models developed in Prof. Clancy's laboratory. Beyond the laboratory, I hope to combine my experience in education, mentorship, and development work to make a lasting impact on the world’s interaction with science through teaching students, advising policy makers, reforming scientific institutions, and opening science to the public. Working towards these goals, I serve as President of the Biophysics Graduate Group and and a Policy Fellow with the California Initiative to Advance Precision Medicine. All of my work is informed by two years serving as a math and science teacher trainer as a Peace Corps Volunteer in The Gambia and my various experiences as a tutor, teacher, and mentor for over a decade. In each of these capacities I have fought for better education and student/volunteer welfare and rights.

• https://www.researchgate.net/profile/Aiyana_Emigh/research