全部文献期刊会议图书|学者科研项目
中外文文献  中文文献  外文文献
作者:Hongrui Wang , Hongwei Liu , Leixin Cai ...
来源:[J].BMC Bioinformatics(IF 3.024), 2017, Vol.18 (1)Springer
摘要:In this study, we extended the replica exchange Monte Carlo (REMC) sampling method to protein–small molecule docking conformational prediction using RosettaLigand. In contrast to the traditional Monte Carlo (MC) and REMC sampling methods, these methods use multi-objective opt...
作者:Tanchanok Wisitponchai , Watshara Shoombuatong , Vannajan Sanghiran Lee ...
来源:[J].BMC Bioinformatics(IF 3.024), 2017, Vol.18 (1)Springer
摘要:... Several docking programs were used to predict the near-native poses of the protein-protein complex in 10 top-rankings. The universal criteria for discriminating the near-native pose are not available since there are several classes of recognition protein. Currently, the expli...
作者:Gammadde Hewa Ishan Maduka Wickramasinghe , Pilimathalawe Panditharathna Attanayake Mudiyanselage Samith Indika Rathnayake , Naduviladath Vishvanath Chandrasekharan ...
来源:[J].BMC Microbiology(IF 3.104), 2017, Vol.17 (1)Springer
摘要:Cellulose, a linear polymer of β 1–4, linked glucose, is the most abundant renewable fraction of plant biomass (lignocellulose). It is synergistically converted to glucose by endoglucanase (EG) cellobiohydrolase (CBH) and β-glucosidase (BGL) of the cellulase complex. BGL pla...
作者:Keke Shi , Chuang Liu , James D. Biggs ...
来源:[J].Aerospace Science and Technology(IF 0.873), 2020, Vol.99
摘要:Abstract(#br)Electromagnetic docking could enable autonomous spacecraft docking with no need for propellant consumption and without plume contamination. This paper addresses the robust electromagnetic docking problem for spacecraft in the presence of external disturbances, fault ...
作者:Jing Zhang , Linfeng Chen , Yaxian Zhu ...
来源:[J].Food Chemistry(IF 3.334), 2020, Vol.309
摘要:Abstract(#br)To reveal the potential effects of hydroxylated polycyclic aromatic hydrocarbons (OH-PAHs) on catalase (CAT), the interactions of 1-hydroxynaphthalene (1-OHNap), 9-hydroxyphenanthrene (9-OHPhe) and 1-hydroxypyrene (1-OHPyr) with CAT were investigated using multi-spectroscopic and molecular docking...
作者:Yusuf Sert , Sanae Lahmidi , Mohamed El Hafi ...
来源:[J].Journal of Molecular Structure(IF 1.404), 2020, Vol.1206
摘要:... parameters with an IEFPCM solvent model, MEP-Molecular Electrostatic Potential and NLO-Non-Linear Optical properties and a molecular docking analysis were carried out. All theoretical computations were performed by the DFT/B3LYP functional and the 6–311++G(d,p) basis se...
作者:Ayse Tan
来源:[J].Journal of Molecular Structure(IF 1.404), 2020
摘要:... The binding modes of the 1,2,3-triazole compounds ( 5 and 6 ) with the active site of xanthine oxidase were explained based on molecular docking studies. The molecular docking studies showed that the aromatic structure, π-π interactions and hydrophobic interactions play...
作者:Yejun Deng , Lixin Huang , Caihong Zhang ...
来源:[J].Industrial Crops & Products(IF 2.468), 2020, Vol.148
摘要:... To explain this phenomenon, molecular docking simulation was used to reveal the interactions between tyrosinase and peptides. More docking sites were observed between RHAKF and tyrosinase, and this likely supported the better inhibitory behavior of RHAKF. These findings impli...
作者:Lu Zhang , Liang Xu , Zong-cai Tu ...
来源:[J].Food Chemistry(IF 3.334), 2020, Vol.309
摘要:... The mechanism was elucidated through the interaction between OVA and ISQ, and changes in glycation sites and degree of each site as deduced by spectroscopy, spectrometry and molecular docking. ISQ significantly inhibited OVA glycation by attenuating the conformational ch...
作者:Muslum Yildiz
来源:[J].Journal of Molecular Structure(IF 1.404), 2020, Vol.1208
摘要:... Here, we assessed the affinity of 323 inhibitors that have co-crystallized with Bace1 enzyme towards two structurally related enzymes Bace2 and CatD by two different docking software Glide-QPLD and GOLD. Based on two docking results, 3% of all ligands have been found to pre...

我们正在为您处理中,这可能需要一些时间,请稍等。

资源合作:cnki.scholar@cnki.net, +86-10-82896619   意见反馈:scholar@cnki.net

×