Jay Bardhan | Environmental Molecular Sciences Laboratory

Development of accurate force fields for aqueous biological environments using a massively parallel multiscale approach

Lead Institution

Intel Corporation

Principal Investigator

Jeffrey Hammond

Project type

Capability Research

The ability to calculate accurate energies and properties of large molecules with massively-parallel computers presents an extraordinary opportunity to develop new models for bonded and non-bonded…

Integrated multi-modal approach for structure and function determination of lignin-forming protein complexes isolated from plants

Lead Institution

Pacific Northwest National Laboratory

Principal Investigator

John Cort

We propose to apply an integrated multi-modal structural biology approach to investigate a biosynthetic protein complex in plants that is hypothesized to organize and guide lignin biosynthesis via…

Multiscale modeling of pH-dependent biomolecule behavior

Lead Institution

Environmental Molecular Sciences Laboratory

Principal Investigator

Jay Bardhan

Electrostatic interactions between charged biomolecules and the surrounding aqueous electrolyte solvent play a variety of important roles determining biomolecule structure and function. For studies…

Projects

Development of accurate force fields for aqueous biological environments using a massively parallel multiscale approach

Integrated multi-modal approach for structure and function determination of lignin-forming protein complexes isolated from plants

Multiscale modeling of pH-dependent biomolecule behavior