Hydrogen bonds rebuilt by polarized protein-specific charges

Zhijun Xu; Ye Mei; Lili Duan; Dawei Zhang

doi:10.1016/j.cplett.2010.06.073

Hydrogen bonds rebuilt by polarized protein-specific charges

Zhijun Xu
, Ye Mei
, Lili Duan
, Dawei Zhang^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

19 Scopus citations

Abstract

Three novel schemes on the basis of newly developed polarized protein-specific charge (PPC) have been proposed to refine the structure of staphylococcal nuclease generated by AMBER simulation. The performance of the refinement is analyzed in term of the stability and the recovery of intra-protein hydrogen bonds.

Original language	English
Pages (from-to)	151-154
Number of pages	4
Journal	Chemical Physics Letters
Volume	495
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2010.06.073
State	Published - 29 Jul 2010
Externally published	Yes

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10.1016/j.cplett.2010.06.073

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@article{3638f7f0927841b19bbc9de1c6e1e84d,

title = "Hydrogen bonds rebuilt by polarized protein-specific charges",

abstract = "Three novel schemes on the basis of newly developed polarized protein-specific charge (PPC) have been proposed to refine the structure of staphylococcal nuclease generated by AMBER simulation. The performance of the refinement is analyzed in term of the stability and the recovery of intra-protein hydrogen bonds.",

author = "Zhijun Xu and Ye Mei and Lili Duan and Dawei Zhang",

year = "2010",

month = jul,

day = "29",

doi = "10.1016/j.cplett.2010.06.073",

language = "英语",

volume = "495",

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T1 - Hydrogen bonds rebuilt by polarized protein-specific charges

AU - Xu, Zhijun

AU - Mei, Ye

AU - Duan, Lili

AU - Zhang, Dawei

PY - 2010/7/29

Y1 - 2010/7/29

N2 - Three novel schemes on the basis of newly developed polarized protein-specific charge (PPC) have been proposed to refine the structure of staphylococcal nuclease generated by AMBER simulation. The performance of the refinement is analyzed in term of the stability and the recovery of intra-protein hydrogen bonds.

AB - Three novel schemes on the basis of newly developed polarized protein-specific charge (PPC) have been proposed to refine the structure of staphylococcal nuclease generated by AMBER simulation. The performance of the refinement is analyzed in term of the stability and the recovery of intra-protein hydrogen bonds.

UR - https://www.scopus.com/pages/publications/77955558974

U2 - 10.1016/j.cplett.2010.06.073

DO - 10.1016/j.cplett.2010.06.073

M3 - 文章

AN - SCOPUS:77955558974

SN - 0009-2614

VL - 495

SP - 151

EP - 154

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-3

ER -

Hydrogen bonds rebuilt by polarized protein-specific charges

Abstract

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