Intrinsic conformational energetics associated with the glycosyl torsion in DNA: a quantum mechanical study.
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CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fieldsThe subgenomic promoter of brome mosaic virus folds into a stem-loop structure capped by a pseudo-triloop that is structurally similar to the triloop of the genomic promoterA Two-Metal-Ion-Mediated Conformational Switching Pathway for HDV Ribozyme ActivationQuantum chemical studies of nucleic acids: can we construct a bridge to the RNA structural biology and bioinformatics communities?The intrinsic mechanics of B-DNA in solution characterized by NMREngineering the quadruplex fold: nucleoside conformation determines both folding topology and molecularity in guanine quadruplexes.Current status of protein force fields for molecular dynamics simulations.Crystal structures of 2-acetylaminofluorene and 2-aminofluorene in complex with T7 DNA polymerase reveal mechanisms of mutagenesis.The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies.Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles.How do hydrophobic nucleobases differ from natural DNA nucleobases? Comparison of structural features and duplex properties from QM calculations and MD simulations.Additive CHARMM force field for naturally occurring modified ribonucleotides.Analyzing the flexibility of RNA structures by constraint counting.Intrinsic contribution of the 2'-hydroxyl to RNA conformational heterogeneityOptimization of the CHARMM additive force field for DNA: Improved treatment of the BI/BII conformational equilibrium.Nearest-neighbor interactions and their influence on the structural aspects of dipeptidesContribution of the intrinsic mechanical energy of the phosphodiester linkage to the relative stability of the A, BI, and BII forms of duplex DNA.Biomolecular free energy profiles by a shooting/umbrella sampling protocol, "BOLAS"Direct measurement of sequence-dependent transition path times and conformational diffusion in DNA duplex formation.Structure of dipeptides having N-terminal selenocysteine residues: a DFT study in gas and aqueous phase.Exploring the limits of nucleobase expansion: computational design of naphthohomologated (xx-) purines and comparison to the natural and xDNA purines.Conformational analysis of canonical 2-deoxyribonucleotides. 1. Pyrimidine nucleotides.Conformational analysis of canonical 2-deoxyribonucleotides. 2. Purine nucleotides.Charges of phosphate groups. A role in stabilization of 2'-deoxyribonucleotides. A DFT investigation.Dependence of deformability of geometries and characteristics of intramolecular hydrogen bonds in canonical 2'-deoxyribonucleotides on DNA conformations.Mismodeled purines: implicit alternates and hidden Hoogsteens.Solitary excitations in B-Z DNA transition: a theoretical and numerical study.Towards biochemically relevant QM computations on nucleic acids: controlled electronic structure geometry optimization of nucleic acid structural motifs using penalty restraint functions.
P2860
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P2860
Intrinsic conformational energetics associated with the glycosyl torsion in DNA: a quantum mechanical study.
description
2002 nî lūn-bûn
@nan
2002 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2002 թվականի մարտին հրատարակված գիտական հոդված
@hy
2002年の論文
@ja
2002年論文
@yue
2002年論文
@zh-hant
2002年論文
@zh-hk
2002年論文
@zh-mo
2002年論文
@zh-tw
2002年论文
@wuu
name
Intrinsic conformational energ ...... A: a quantum mechanical study.
@ast
Intrinsic conformational energ ...... A: a quantum mechanical study.
@en
Intrinsic conformational energ ...... A: a quantum mechanical study.
@nl
type
label
Intrinsic conformational energ ...... A: a quantum mechanical study.
@ast
Intrinsic conformational energ ...... A: a quantum mechanical study.
@en
Intrinsic conformational energ ...... A: a quantum mechanical study.
@nl
prefLabel
Intrinsic conformational energ ...... A: a quantum mechanical study.
@ast
Intrinsic conformational energ ...... A: a quantum mechanical study.
@en
Intrinsic conformational energ ...... A: a quantum mechanical study.
@nl
P2860
P1433
P1476
Intrinsic conformational energ ...... A: a quantum mechanical study.
@en
P2093
Alexander D MacKerell
Brigitte Hartmann
P2860
P304
P356
10.1016/S0006-3495(02)75507-0
P407
P577
2002-03-01T00:00:00Z