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Michael Green

Institution
City College of New York
ORCID
ORCID logo 0000-0001-9008-9085

Projects

HYDROGEN BONDING IN INHOMOGENEOUS ENVIRONMENTS

Lead Institution
City College of New York
Principal Investigator
Michael Green
Project type
Capability Research
We propose to improve the treatment of hydrogen bonds in simulations, especially of proteins. These will be incorporated into suites of programs that carry out Monte Carlo, and eventually Molecular…

Ab Initio Studies on Voltage Gating of Ion Channels

Lead Institution
City College of New York
Principal Investigator
Michael Green
Project type
Large-Scale EMSL Research
Abstract: The ab initio and DFT computations proposed here will clarify the mechanism of ion channel voltage gating. Ion channels are proteins in cell membranes that allow passage of K+, Na+, or Ca2+…

Quantum Calculations as a Tool in Structural Biology

Lead Institution
City College of New York
Principal Investigator
Michael Green
Project type
Capability Research
We are planning to continue work on understanding ion channels by application of quantum calculations to these critically important proteins. Ion channels play a key role in essentially every living…

Ab Initio calculations on a proposed gating mechanism for the KcsA channel

Lead Institution
City College of New York
Principal Investigator
Michael Green
Project type
Capability Research
Abstract: The determination of the (revised) structure of the KcsA K+ channel of S Lividans, a bacterium (Zhou, Morais-Cabral et al. 2001), has made it possible to understand the location of the…

Quantum Calculations on Ion Channels, Especially Voltage Gated Channels

Lead Institution
City College of New York
Principal Investigator
Michael Green
Project type
Large-Scale EMSL Research
The properties of ion channel proteins, found in essentially all organisms, will be computed using quantum calculations. The principal techniques include optimization at Hartree-Fock level …