Quantum Fragment Based ab Initio Molecular Dynamics for Proteins.

Quantum Fragment Based ab Initio Molecular Dynamics for Proteins.

Item
http://www.wikidata.org/entity/Q30382258
Ambient-Potential Composite Ewald Method for ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics SimulationQuantum mechanical force fields for condensed phase molecular simulations.Structure of liquid water - a dynamical mixture of tetrahedral and 'ring-and-chain' like structures.Probing the influence of carboxyalkyl groups on the molecular flexibility and the charge density of apigenin derivatives.Accurate prediction of energetic properties of ionic liquid clusters using a fragment-based quantum mechanical method.A quantum mechanical computational method for modeling electrostatic and solvation effects of protein.A Force Balanced Fragmentation Method for ab Initio Molecular Dynamic Simulation of Protein.An Ab Initio QM/MM Study of the Electrostatic Contribution to Catalysis in the Active Site of Ketosteroid Isomerase
P2860

Quantum Fragment Based ab Initio Molecular Dynamics for Proteins.

Item
http://www.wikidata.org/entity/Q30382258
description
2015 nî lūn-bûn
@nan
2015 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2015 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
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
name
Quantum Fragment Based ab Initio Molecular Dynamics for Proteins.
@ast
Quantum Fragment Based ab Initio Molecular Dynamics for Proteins.
@en
type
label
Quantum Fragment Based ab Initio Molecular Dynamics for Proteins.
@ast
Quantum Fragment Based ab Initio Molecular Dynamics for Proteins.
@en
prefLabel
Quantum Fragment Based ab Initio Molecular Dynamics for Proteins.
@ast
Quantum Fragment Based ab Initio Molecular Dynamics for Proteins.
@en
P1433
P1476
P2093
P304
P31
P356
P433
P478
P50
P577
P698
P921
P356
P1433
P1476
Quantum Fragment Based ab Initio Molecular Dynamics for Proteins.
@en
P2093
P304
P31
P356
P433
P478
P50
P577
P698
P921