Assessment of Empirical Models versus High-Accuracy Ab Initio Methods for Nucleobase Stacking: Evaluating the Importance of Charge Penetration.
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General van der Waals potential for common organic molecules.An optimized charge penetration model for use with the AMOEBA force field.The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions.Physics-based all-atom modeling of RNA energetics and structure.Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics.Polarizable Force Field for DNA Based on the Classical Drude Oscillator: II. Microsecond Molecular Dynamics Simulations of Duplex DNA.A Universal and Straightforward Approach to Include Penetration Effects in Electrostatic Interaction Energy Estimation.Polarizable Multipole-Based Force Field for Aromatic Molecules and Nucleobases.AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids.Density-fitted open-shell symmetry-adapted perturbation theory and application to π-stacking in benzene dimer cation and ionized DNA base pair steps.
P2860
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P2860
Assessment of Empirical Models versus High-Accuracy Ab Initio Methods for Nucleobase Stacking: Evaluating the Importance of Charge Penetration.
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
2015年论文
@zh
2015年论文
@zh-cn
name
Assessment of Empirical Models ...... ortance of Charge Penetration.
@en
type
label
Assessment of Empirical Models ...... ortance of Charge Penetration.
@en
prefLabel
Assessment of Empirical Models ...... ortance of Charge Penetration.
@en
P356
P1476
Assessment of Empirical Models ...... portance of Charge Penetration
@en
P2093
Trent M Parker
P304
P356
10.1021/ACS.JCTC.5B00588
P50
P577
2015-08-13T00:00:00Z