Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions
Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions(405 views) Improta R, Barone V
Keywords: Density Functionals, Dipeptide Analog, Helical Conformers, Noncovalent Interactions, Atoms, Computational Methods, Conformations, Electrons, Electrostatics, Hydrogen Bonds, Mathematical Models, Molecular Dynamics, Molecular Structure, Probability Density Function, Alanine Dipeptide, Hartree-Fock Computations, Intraresidue Nonbonding Interactions, Repulsive Interactions, Polypeptides, Algorithm, Article, Chemical Structure, Chemistry, Protein Conformation, Thermodynamics,
Affiliations: *** IBB - CNR ***
Dipartamento di Chimica, Università Federico II, Compleso Univ. Monte S. Angelo, Via Cintia, Napoli 1-80126, Italy
Ist di Biostrutture e Bioimmagini, CNR, 6 Via Mezzocannone, Napoli 1-80134, Italy
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Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions
Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions
Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions