Halogen bonding in ligand-receptor systems in the framework of classical force fields.

Halogen bonding in ligand-receptor systems in the framework of classical force fields.

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http://www.wikidata.org/entity/Q43569323
Molecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structuresThe Halogen BondA Protein Data Bank survey reveals shortening of intermolecular hydrogen bonds in ligand-protein complexes when a halogenated ligand is an H-bond donorMolecular dynamics simulation of halogen bonding mimics experimental data for cathepsin L inhibition.Modeling organochlorine compounds and the σ-hole effect using a polarizable multipole force fieldIsomeric mono-, di-, and tri-bromobenzo-1H-triazoles as inhibitors of human protein kinase CK2α.Treatment of Halogen Bonding in the OPLS-AA Force Field; Application to Potent Anti-HIV Agents.Halogen bonding for rational drug design and new drug discovery.A catenane assembled through a single charge-assisted halogen bond.Fluorine bonding enhances the energetics of protein-lipid binding in the gas phase.Predictive Models for Halogen-bond Basicity of Binding Sites of Polyfunctional Molecules.A knowledge-based halogen bonding scoring function for predicting protein-ligand interactions.Halogen bonds with benzene: an assessment of DFT functionals.Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities.Halogen-Bonding Interactions with π Systems: CCSD(T), MP2, and DFT Calculations
P2860

Halogen bonding in ligand-receptor systems in the framework of classical force fields.

Item
http://www.wikidata.org/entity/Q43569323
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年学术文章
@wuu
2011年学术文章
@zh
2011年学术文章
@zh-cn
2011年学术文章
@zh-hans
2011年学术文章
@zh-my
2011年学术文章
@zh-sg
2011年學術文章
@yue
2011年學術文章
@zh-hant
name
Halogen bonding in ligand-receptor systems in the framework of classical force fields.
@en
Halogen bonding in ligand-receptor systems in the framework of classical force fields.
@nl
type
label
Halogen bonding in ligand-receptor systems in the framework of classical force fields.
@en
Halogen bonding in ligand-receptor systems in the framework of classical force fields.
@nl
prefLabel
Halogen bonding in ligand-receptor systems in the framework of classical force fields.
@en
Halogen bonding in ligand-receptor systems in the framework of classical force fields.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
Halogen bonding in ligand-receptor systems in the framework of classical force fields.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698