Wanyi Zhang

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The energies and physical descriptors for the binding of 20 novel 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)benzimidazole analogues (BPBIs) to HIV-1 reverse transcriptase (RT) have been determined using Monte Carlo (MC) simulations. The crystallographic structure of the lead compound, 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-methylbenzimidazole,(More)
In an ongoing effort to develop novel and potent nonnucleoside HIV-1 reverse transcriptase (RT) inhibitors that are effective against the wild type (WT) virus and clinically observed mutants, 1,2-bis-substituted benzimidazoles were synthesized and tested. Optimization of the N1 and C2 positions of benzimidazole led to the development of(More)
The energies and physical descriptors for the binding of 21 novel 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-benzimidazole (BPBI) analogs to HIV-1 reverse transcriptase (RT) variants Y181C, L100I, V106A, and K103N have been determined using Monte Carlo (MC) simulations. The crystallographic structure of the lead compound, 4-methyl BPBI, was used as a(More)
The computational fluid simulation application Fluent is used for the thermal simulation of the internal recycle double skin facade of an office building in Chengdu to obtain the thermal insulation results of the model in summer and in winter; the effects of orientation on the thermal insulation results are analyzed and the measures to improve the thermal(More)
The PBECA energy saving design application is used to study the energy consumption in summer for air conditioning of an office building with different transparent enclosing structures in Chengdu. The results show that the energy consumption in summer for air conditioning of building with double skin facade is 10% lower than that of building with other(More)
Community detection is an important research issue in complex network mining. In this paper, firstly, we define central nodes, called Extended Local Max-Degree (ELMD) nodes in a complex network. All the central nodes are used for the community expanding. We also prove that ELMD method is more precise and dispersed than local max-degree method in the real(More)
Archaeological site park construction is the protection approach of large site which has the most realistic meaning and operability, in order to reduce the complexity of the construction; this paper puts forward a modeling scheme of Daming Palace archaeological site park k based on the 3 d modeling technology. Firstly, it sets up material point model of(More)
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