Alisher Kariev

QUANTUM CALCULATIONS ON A POTASSIUM ION CHANNEL TO TEST A GATING HYPOTHESIS

Lead Institution

City College of New York

Principal Investigator

Michael Green

Project type

Limited Scope

The quantum calculations will allow us to distinguish between a model which depends on mechanical movement of channel protein to provide a capacitative current preceding the opening of the main…

Proton paths in biological systems: Composition, stability, and requirements for transmitting protons

Lead Institution

City College of New York

Principal Investigator

Michael Green

Project type

Exploratory Research

Using structures from known proton transmitters, we will calculate, using DFT, the energy for successive proton positions, the bonding with the protons in these positions, and the charges on the…

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…

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 …

QUANTUM CALCULATIONS ON ION CHANNELS, ESPECIALLY VOLTAGE GATED CHANNELS

Lead Institution

City College of New York

Principal Investigator

Michael Green

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 …

EMSL Science Overview

Alisher Kariev

Projects

QUANTUM CALCULATIONS ON A POTASSIUM ION CHANNEL TO TEST A GATING HYPOTHESIS

Proton paths in biological systems: Composition, stability, and requirements for transmitting protons

Quantum Calculations as a Tool in Structural Biology

Quantum Calculations on Ion Channels, Especially Voltage Gated Channels

QUANTUM CALCULATIONS ON ION CHANNELS, ESPECIALLY VOLTAGE GATED CHANNELS