Add to ORKGABSTRACT: An overview of the use of classical mechanical molecular simulations of porphyrins, hydroporphyrins and heme proteins is given. The topics cover molecular mechanics calculations of structures and conformer energies of porphyrins, energies of barriers for interconversion between stable conformers, molecular dynamics of porphyrins and heme proteins, and normal-coordinate structural analysis of experimental and calculated porphyrin structures. Molecular mechanics and dynamics are currently a fertile area of research on porphyrins. In the future, other computational methods such as Monte Carlo simulations, which have yet to be applied to porphyrins, will come into use and open new avenues of research into molecular simulations of porp...
Biomolecular simulation is increasingly central to understanding and designing biological molecules ...
(A) Crystal structure of Cytochrome c552 protein with native heme species (PDB entry 1QYZ). (B). Pla...
Until the 1970s, chemical systems and phenomena were studied using two basic approaches, wet laborat...
An overview of the use of classical mechanical molecular simulations of porphyrins, hydroporphyrins,...
Different aspects of porphyrin proteins have been studied with theoretical methods. For example, we ...
In this paper we review recent advances in computational chemistry and specifically focus on the che...
In this paper we review recent advances in computational chemistry and specifically focus on the che...
Molecular dynamic (MD) simulation is a powerful theoretical tool which equips users with the ability...
Proteins are the media through which genetic information is expressed. They are involved in most if ...
Proteins are the media through which genetic information is expressed. They are involved in most if ...
Biomolecular simulation is increasingly central to understanding and designing biological molecules ...
This book discusses the fundamentals of molecular simulation, starting with the basics of statistica...
Abstract: Molecular mechanics (MM) calculations to analyze the puckering of metalloporphyrins isolat...
Heme is located in the active site of proteins and has diverse and important biological functions, s...
A better understanding of life at a microscopic level permits the formulation of better drugs, the ...
Biomolecular simulation is increasingly central to understanding and designing biological molecules ...
(A) Crystal structure of Cytochrome c552 protein with native heme species (PDB entry 1QYZ). (B). Pla...
Until the 1970s, chemical systems and phenomena were studied using two basic approaches, wet laborat...
An overview of the use of classical mechanical molecular simulations of porphyrins, hydroporphyrins,...
Different aspects of porphyrin proteins have been studied with theoretical methods. For example, we ...
In this paper we review recent advances in computational chemistry and specifically focus on the che...
In this paper we review recent advances in computational chemistry and specifically focus on the che...
Molecular dynamic (MD) simulation is a powerful theoretical tool which equips users with the ability...
Proteins are the media through which genetic information is expressed. They are involved in most if ...
Proteins are the media through which genetic information is expressed. They are involved in most if ...
Biomolecular simulation is increasingly central to understanding and designing biological molecules ...
This book discusses the fundamentals of molecular simulation, starting with the basics of statistica...
Abstract: Molecular mechanics (MM) calculations to analyze the puckering of metalloporphyrins isolat...
Heme is located in the active site of proteins and has diverse and important biological functions, s...
A better understanding of life at a microscopic level permits the formulation of better drugs, the ...
Biomolecular simulation is increasingly central to understanding and designing biological molecules ...
(A) Crystal structure of Cytochrome c552 protein with native heme species (PDB entry 1QYZ). (B). Pla...
Until the 1970s, chemical systems and phenomena were studied using two basic approaches, wet laborat...