MOLECULAR DYNAMIC STUDY AND THE EFFECT OF SOLVENT DIELECTRIC CONSTANT ON STRUCTURE OF HEME CONTAINING PROTEIN CYTOCHROME C IN DIFFERENT MEDIA

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PARSAPOUR N.; Parsapour Gh.

مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

Seminar Paper

Paper Information

Seminar: INTERNATIONAL IRANIAN BIOLOGY CONFERENCE
Year:2012 | Issue:17

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Title

MOLECULAR DYNAMIC STUDY AND THE EFFECT OF SOLVENT DIELECTRIC CONSTANT ON STRUCTURE OF HEME CONTAINING PROTEIN CYTOCHROME C IN DIFFERENT MEDIA

Author(s)

PARSAPOUR N. | Parsapour Gh.

Keywords

DENSITY FUNCTIONAL THEORY

GAUSSIAN 98

HEME C (HEC)

MOLECULAR DYNAMIC

ONSAGER MODEL

Abstract

THE SOLVENT DIELECTRIC CONSTANT IS CONSIDERED AN IMPORTANT FACTOR IN DETERMINING THE PROPERTIES OF THE HEME-CONTAINING PROTEIN CYTOCHROME C IN SOLUTION. THEREFORE, WE INVESTIGATE SOLVENTS EFFECTS ON THE RELATIVE ENERGIES, DIPOLE MOMENT VALUES, AND STRUCTURAL PROPERTIES OF WATER, METHANOL, AND ETHANOL SURROUNDING HEME C (HEC), BY USING MOLECULAR DYNAMICS SIMULATION. IN THIS STUDY, WE SUBSTITUTE THE IRON ATOM OF HEC WITH OTHER METAL ATOMS SUCH AS COBALT, NICKEL, COPPER AND ZINC AND POLAR SOLVENT EFFECT HAS BEEN PERFORMED USING ONSAGER MODEL. CALCULATIONS WERE CARRIED OUT WITH THE GAUSSIAN 98 PROGRAM BASED ON DENSITY FUNCTIONAL THEORY (DFT) AT B3LYP/6-31G* LEVEL. WE HAVE COMPARED GAS PHASE AND SOLVENT CALCULATIONS.

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APA: Copy

PARSAPOUR, N., & Parsapour, Gh.. (2012). MOLECULAR DYNAMIC STUDY AND THE EFFECT OF SOLVENT DIELECTRIC CONSTANT ON STRUCTURE OF HEME CONTAINING PROTEIN CYTOCHROME C IN DIFFERENT MEDIA. INTERNATIONAL IRANIAN BIOLOGY CONFERENCE. SID. https://sid.ir/paper/929065/en

Vancouver: Copy

PARSAPOUR N., Parsapour Gh.. MOLECULAR DYNAMIC STUDY AND THE EFFECT OF SOLVENT DIELECTRIC CONSTANT ON STRUCTURE OF HEME CONTAINING PROTEIN CYTOCHROME C IN DIFFERENT MEDIA. 2012. Available from: https://sid.ir/paper/929065/en

IEEE: Copy

N. PARSAPOUR, and Gh. Parsapour, “MOLECULAR DYNAMIC STUDY AND THE EFFECT OF SOLVENT DIELECTRIC CONSTANT ON STRUCTURE OF HEME CONTAINING PROTEIN CYTOCHROME C IN DIFFERENT MEDIA,” presented at the INTERNATIONAL IRANIAN BIOLOGY CONFERENCE. 2012, [Online]. Available: https://sid.ir/paper/929065/en

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