Nucleic acids conformation and flexibility

Proteins, nucleic acids (see Nucleic Acid Conformation and Flexibility Modeling Using Molecular Mechanics), and other polymeric substances are too large for direct calculation of optical rotatory strengths by any method at the time of this writing. However, since they are often composed of repeating similar units, coupled oscillator-derived techniques may be used to advantage. Such applications to polymers have been reviewed by Tinoco. Several computational procedures for the determination of the protein composition and structure from chiroptical methods are in use. 

Circular Dichroism Vibrational Configuration Interaction Configuration Interaction PCI-X and Applications Density Functional Theory (DFT), Hartree-Fock (HF), and the Self-consistent Field Magnetic Circular Dichroism of n Systems Molecular Magnetic Properties Nucleic Acid Conformation and Flexibility Modeling Using Molecular Mechanics Spectroscopy Computational Methods Stereochemistry Representation and Manipulation. 

NUCLEIC ACID CONFORMATION AND FLEXIBILITY MODELING USING MOLECULAR MECHANICS 1913... 

Nucleic Acid Conformation and Flexibility Modeling Using Molecular Mechanics... 

The FLEX force field developed by Lavery et al. is specifically designed for the nucleic acid calculations and is used with the JUMNA (junction minimization of nucleic acids) program (see Nucleic Acid Conformation and Flexibility Modeling Using Molecular Mechanics). The potential energy is defined by the following equation ... 

Conformational Flexibility in 3D Structure Searching Machine Learning Techniques in Chemistry Molecular Dynamics Simulations of Nucleic Acids Nucleic Acid Conformation and Flexibility Modeling Using Molecular... 

Data Correlation with Chemical Structure NMR Refinement Nucleic Acid Conformation and Flexibility Modeling Using Molecular Mechanics Nucleic Acid Force Fields Nucleic Acids Qualitative Modeling Object-oriented Programming. 

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