Assessing the Current State of Amber Force Field Modifications for DNA
about
Interstrand cross-linking implies contrasting structural consequences for DNA: insights from molecular dynamics.Consecutive non-natural PZ nucleobase pairs in DNA impact helical structure as seen in 50 μs molecular dynamics simulations.Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations.Evaluating Force Field Performance in Thermodynamic Calculations of Cyclodextrin Host-Guest Binding: Water Models, Partial Charges, and Host Force Field Parameters.Deficiencies in Molecular Dynamics Simulation-Based Prediction of Protein-DNA Binding Free Energy Landscapes.Advances in RNA molecular dynamics: a simulator's guide to RNA force fields.How to understand atomistic molecular dynamics simulations of RNA and protein-RNA complexes?Accuracy limit of rigid 3-point water models.How accurate are accurate force-fields for B-DNA?Insilico direct folding of thrombin-binding aptamer G-quadruplex at all-atom level.RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.In silico structural modeling of multiple epigenetic marks on DNA.Understanding the Relative Flexibility of RNA and DNA Duplexes: Stretching and Twist-Stretch Coupling.A DNA structural alphabet provides new insight into DNA flexibility.Toward an Expanded Genome: Structural and Computational Characterization of an Artificially Expanded Genetic Information System.AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids.Structural and dynamical instability of DNA caused by high occurrence of d5SICS and dNaM unnatural nucleotides.Re-emergence of an orphan therapeutic target for the treatment of resistant prostate cancer - a thorough conformational and binding analysis for ROR-γ protein.Hexahydrated Mg2+ Binding and Outer-Shell Dehydration on RNA Surface.Effect of Methylation on Local Mechanics and Hydration Structure of DNA.Oxidative damage to epigenetically methylated sites affects DNA stability, dynamics and enzymatic demethylationWhy are Hoogsteen base pairs energetically disfavored in A-RNA compared to B-DNA?Molecular Modeling Applied to Nucleic Acid-Based Molecule Development
P2860
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P2860
Assessing the Current State of Amber Force Field Modifications for DNA
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2016 nî lūn-bûn
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2016 թուականի Յունիսին հրատարակուած գիտական յօդուած
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2016 թվականի հունիսին հրատարակված գիտական հոդված
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2016年の論文
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2016年論文
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2016年論文
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2016年論文
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2016年論文
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2016年論文
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2016年论文
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Assessing the Current State of Amber Force Field Modifications for DNA
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Assessing the Current State of Amber Force Field Modifications for DNA
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Assessing the Current State of Amber Force Field Modifications for DNA
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label
Assessing the Current State of Amber Force Field Modifications for DNA
@ast
Assessing the Current State of Amber Force Field Modifications for DNA
@en
Assessing the Current State of Amber Force Field Modifications for DNA
@nl
prefLabel
Assessing the Current State of Amber Force Field Modifications for DNA
@ast
Assessing the Current State of Amber Force Field Modifications for DNA
@en
Assessing the Current State of Amber Force Field Modifications for DNA
@nl
P2093
P2860
P50
P3181
P356
P1476
Assessing the Current State of Amber Force Field Modifications for DNA
@en
P2093
James C Robertson
Marie Zgarbová
Petr Jurečka
Rodrigo Galindo-Murillo
P2860
P304
P3181
P356
10.1021/ACS.JCTC.6B00186
P407
P577
2016-06-14T00:00:00Z