Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand-protein interactions.
about
Do Halogen-Hydrogen Bond Donor Interactions Dominate the Favorable Contribution of Halogens to Ligand-Protein Binding?Benchmarking DFT methods with small basis sets for the calculation of halogen-bond strengths.Absolute binding free energies for octa-acids and guests in SAMPL5 : Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge.In silico-based identification of human α-enolase inhibitors to block cancer cell growth metabolically.Polarizable Empirical Force Field for Halogen-Containing Compounds Based on the Classical Drude Oscillator.The Interaction Modes of Haloimidazolium Salts in Solution.
P2860
Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand-protein interactions.
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
2016年论文
@zh
2016年论文
@zh-cn
name
Parametrization of halogen bon ...... f ligand-protein interactions.
@en
Parametrization of halogen bon ...... f ligand-protein interactions.
@nl
type
label
Parametrization of halogen bon ...... f ligand-protein interactions.
@en
Parametrization of halogen bon ...... f ligand-protein interactions.
@nl
prefLabel
Parametrization of halogen bon ...... f ligand-protein interactions.
@en
Parametrization of halogen bon ...... f ligand-protein interactions.
@nl
P2093
P2860
P1476
Parametrization of halogen bon ...... f ligand-protein interactions.
@en
P2093
Alexander D MacKerell
Charles L Brooks
Fang-Yu Lin
Ignacio Soteras Gutiérrez
Kira A Armacost
P2860
P304
P356
10.1016/J.BMC.2016.06.034
P407
P577
2016-06-18T00:00:00Z