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2. Vigilance synchronization of wintering black-necked crane (Grus nigricollis) families in Tibet

Author

李忠秋 Li Zhongqiu, 杨乐 Yang Le, and 车烨 Che Ye

Subjects
0106 biological sciences, Ecology, biology, 05 social sciences, Grus nigricollis, Zoology, biology.organism_classification, 010603 evolutionary biology, 01 natural sciences, Vigilance (behavioural ecology), Synchronization (computer science), 0501 psychology and cognitive sciences, 050102 behavioral science & comparative psychology, Black-necked crane, Ecology, Evolution, Behavior and Systematics
Published
2018
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3. Conformational analysis on anti-HIV-1 peptide T22 ([Tyr5,12,Lys7]-polyphemusin II)

Author

Che Ye, Miao Fang-Ming, Sun Ming, and Garland R. Marshall

Subjects
Maxima and minima, Anti hiv 1, chemistry.chemical_classification, Quantitative Biology::Biomolecules, Multidisciplinary, OPLS, Computational chemistry, Chemistry, Potential energy surface, Molecule, Peptide, Polyphemusin II, Smoothing
Abstract

The conformational scan of anti-HIV peptide T22 ([Tyr5,12, Lys7]-polyphemusin II) backbone on a deformed potential energy surface (PES) was performed using the potential smoothing searching (PSS) protocol. All located minima were then transferred to the original PES using undeformed optimized potentials for liquid simulations (OPLS) potential function, and minimized by multi-conformer minimization (MCM). For solution-phase calculations, the GB/SA continuum model for water was used. This application of PSS integrated with MCM is proved a feasible method for solving the multiple-minimum problem in the conformational analysis of flexible molecules with cyclic structure.

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