Next Generation Simulations in Biology: Investigating Iomolecular Structure, Dynamics and Function through Multi-Scale Modeling

Project: Research

Project Details

Description

Proteins are highly efficient machines working at the molecular level. The objective of this project is to simulate the atomistic level of a variety of

protein complexes through multi-scale modeling using molecular dynamics simulations and mixed quantum classical modeling (QM/MM) to investigate several enzymes.

StatusActive
Effective start/end date01/1/07 → …

Funding

  • U.S. Department of Energy

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