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Publications by Vangelis Daskalakis

Binding and Docking Interactions of NO, CO and O2 in Heme Proteins as Probed by Density Functional Theory

International Journal of Molecular Sciences

Organic Chemistry

Molecular Biology

Theoretical Chemistry

Inorganic Chemistry

Computer Science Applications

English

Related publications

Density Functional Theory Study of Ag-Cluster/Co Interactions

Lecture Notes in Computer Science

Computer Science

Theoretical Computer Science

English

Effective Intermediate-Spin Iron in O2-Transporting Heme Proteins

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

Vectorial Proton Transfer Coupled to Reduction of O2 and NO by a Heme-Copper Oxidase

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

Mechanisms of Transforming CHx to CO on Ni(111) Surface by Density Functional Theory

Transactions of Tianjin University

Multidisciplinary

English

Structural and Functional Study of Apoptosis-Linked Gene-2·Heme-Binding Protein 2 Interactions in HIV-1 Production

Journal of Biological Chemistry

Molecular Biology

English

Selective Ion-Binding by Protein Probed With the 3d-Rism Theory

English

Resolving the CO/CN Ligand Arrangement in CO-Inactivated [FeFe] Hydrogenase by First Principles Density Functional Theory Calculations

English

CO Induced Aggregation and Segregation of Highly Dilute Alloys: A Density Functional Theory Study

Journal of Physical Chemistry C

Theoretical Chemistry

Magnetic Materials

English

Effect of Nuclear Motion on Charge Transport in Fullerenes: A Combined Density Functional Tight Binding—Density Functional Theory Investigation

Frontiers in Energy Research

Energy Engineering

Renewable Energy

Fuel Technology

the Environment

Power Technology

English