李梦龙
1.生物信息学:蛋白质分类与相互作用、结构解析算法及与生物活性关系研究、蛋白质及相关类数据库管理系统的研发。2.化学信息学:化学计量学模型与算法的研究,基于小波变换光谱(质谱)-结构关联体系构建,计算机辅助药物设计。
个性化签名
- 姓名:李梦龙
- 目前身份:
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学术头衔:
博士生导师
- 职称:-
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学科领域:
分析化学
- 研究兴趣:1.生物信息学:蛋白质分类与相互作用、结构解析算法及与生物活性关系研究、蛋白质及相关类数据库管理系统的研发。2.化学信息学:化学计量学模型与算法的研究,基于小波变换光谱(质谱)-结构关联体系构建,计算机辅助药物设计。
李梦龙,1978-1990 年于湖南大学分析化学专业获理学学士、硕士、博士学位, 1990 年进入四川大学化学学院任教,现为四川大学教授,博士生指导教师,九三学社社员, 教育部高校理科化学教学指导委员会委员、中国化学会化学教育学科委员会委员、中国化学会计算机化学专委会委员、 中国仪器仪表学会分析仪器学会理事、 四川省化学化工学会分析化学专委会副主任,《应用基础与工程科学学报》编委、《环境化学》编委 。四川大学教学名师,四川省精品课程《分析化学》负责人。
研究方向:1.生物信息学:蛋白质分类与相互作用、结构解析算法及与生物活性关系研究、蛋白质及相关类数据库管理系统的研发。2.化学信息学:化学计量学模型与算法的研究,基于小波变换光谱(质谱)-结构关联体系构建,计算机辅助药物设计。
主持完成国家自然科学基金项目、973子项目等5项,教育部优秀年轻教师基金、博士学科点专项基金和骨干教师基金各1项,其他省部级科研课题多项,获部省级成果2项,发表论文90余篇,出版专著4部,培 养硕 博士研究生近40余名。
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成果数
10
【期刊论文】Analyzing functional similarity of protein sequences with discrete wavelet transform
李梦龙, Zhi-ning Wena, , Ke-long Wanga, Meng-long Lia, b, ∗, Fu-sheng Nieb, Yi Yangc
Computational Biology and Chemistry 29(2005)220-228,-0001,():
-1年11月30日
This paper applies discrete wavelet transform (DWT) with various protein substitution models to find functional similarity of proteins with low identity. A new metric, 'S' function, based on the DWT is proposed to measure the pair-wise similarity. We also develop a segmentation technique, combined with DWT, to handle long protein sequences. The results are compared with those using the pair-wise alignment and PSI-BLAST.
Discrete wavelet transform, Protein sequence analysis, Substitution model, Functional similarity e, v, a, l, uation
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【期刊论文】Substructure Prediction from Infrared Spectra by Using Support Vector Machines
李梦龙, Jun Hong LIU, Min Chun LU, Fu Sheng NIE, Xiao Yu FENG, Meng Long LI∗
Chinese Chemical Letters Vol. 16, No.10, pp 1354-1356, 2005,-0001,():
-1年11月30日
The potential of support vector machines (SVMs) for the substructure elucidation of infrared spectra have been investigated. The trained SVMs can identify the 16 substructures with high accuracy.
Infrared spectra,, substructures,, support vector machines.,
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【期刊论文】A New Hybrid Model of Amino Acid Substitution for Protein Functional Classification
李梦龙, Ke Long WANG, , Zhi Ning WEN, Fu Sheng NIE, Meng Long LI, ∗
Chinese Chemical Letters Vol. 16, No.8, pp 1133-1136, 2005,-0001,():
-1年11月30日
In this paper, a new hybrid model of amino acid substitution is developed and compared with the others in previous works. The results show that the new hybrid model can characterize the protein sequences very well by calculating Fisher weights, which can denote how much the variants contribute to the classification.
Hybrid model of amino acid substitution,, protein functional classification,, Fisher weights.,
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李梦龙, Yan-Zhi GUO, Meng-Long LI*, Ke-Long WANG, Zhi-Ning WEN, Min-Chun LU, Li-Xia LIU, and Lin JIANG
Acta Biochimica et Biophysica Sinica 2005, 37 (11): 759-766,-0001,():
-1年11月30日
Although the sequence information on G-protein coupled receptors (GPCRs) continues to grow, many GPCRs remain orphaned (i.e. ligand specificity unknown) or poorly characterized with little structural information available, so an automated and reliable method is badly needed to facilitate the identification of novel receptors. In this study, a method of fast Fourier transform-based support vector machine has been developed for predicting GPCR subfamilies according to protein's hydrophobicity. In classifying Class B, C, D and F subfamilies, the method achieved an overall Matthew's correlation coefficient and accuracy of 0.95 and 93.3%, respectively, when evaluated using the jackknife test. The method achieved an accuracy of 100% on the Class B independent dataset. The results show that this method can classify GPCR subfamilies as well as their functional classification with high accuracy. A web server implementing the prediction is available at http://chem.scu.edu.cn/blast/Pred-GPCR.
G-protein coupled receptor, subfamily, fast Fourier transform, support vector machine, prediction
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李梦龙, Xiaoli Zoua, Yuanqian Lia, ∗, Menglong Lib, Bo Zhenga, Jingguo Yangc
Talanta 62(2004)719-725,-0001,():
-1年11月30日
Simultaneous determination of tin, germanium and molybdenum in food samples has been established by flow injection-charge coupled detector (CCD) diode array detection spectrophotometry with partial least squares (PLS) algorithm. The methodwas based on the chromogenic reaction of metal ions and salicylflurone in the presence of cetyltrimethyl ammonium bromide. The overlapping spectra of these complexes are collected by CCD diode array detector and the multi-wavelength absorbance data are processed using partial least squares algorithm. The reaction conditions and analytical parameters of flow injection analysis have been investigated. The method was applied to directly determine Ge, Mo and Sn in several food samples after digestion with satisfactory results. The recoveries of spiked samples were 80.0-102.0% for tin, 86.3-92.0% for germanium and 83.2-95.2% for molybdenum, and the relative standard deviations for samples were 4.4-7.8%. Molybdenum in certified reference material of cattle liver was determined by the proposed method (n=8). The differential values between determined and guarantee values were within the given uncertain value ranges (t=1.687,P>0.05 for t-test). The samples of mung bean, kelp and pork liver were analyzed by the proposed method and inductively couple plasma-atomic emission spectroscopy (ICP-AES) method. The determination results of the two methods are in good agreement. The sampling rate is 30 samples h−1.
Germanium, Molybdenum, Tin, Flow injection analysis, CCD diode array detector, Partial least squares, Salicylflurone, Food analysis
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【期刊论文】A study on photoinduced electronic transition in complex of vitamin E and benzoquinone
李梦龙, Xiang-Yuan Lia, *, Chun-Xiu Hua, Meng-Long Lib, Zhi-Gang Liub
Journal of Molecular Structure (Theochem) 674(2004)257-266,-0001,():
-1年11月30日
Studies of the ultraviolet spectra and ab initio calculations have been carried out for vitamin E, p-benzoquinone and their complex in the present work. Steady-state absorption spectra have been experimentally measured with a Shimadzu UV-2100S spectrometer at room temperature. Measured values of maximum absorptions of vitamin E and p-benzoquinone in methanol are in excellent agreement with those reported in reference. In theoretical calculations, face-to-face conformations of the electron donor-acceptor (EDA) complex have been selected. The geometries of EDA complexes have been determined by searching for the energy minimum through the variation of the center to center distance between the isolated optimized geometries of the donor and the acceptor. The electronically excited states have been investigated by means of complete active space self-consistent field method associated with 6-31G* basis sets. The state optimizations of S0 and S1 for EDA complex reveal that the photoexcitation can directly yield an excited charge transfer (CT) state, and the CT absorption arises from the electron transition between two p-type molecular obitals. Based on the approximations of spherical cavity and point dipole, CT absorption in methanol has been investigated by considering the solvent reorganization energy correction.
Photoexcitation, Solvent reorganization energy, Charge transfer
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【期刊论文】Application of Embedded Zerotree Wavelet to the Compression of Infrared Spectra
李梦龙, Meng Long LI*, Hua Yi QI, Fu Sheng NIE, Zhi Ning WEN, Bin KANG
Chinese Chemical Letters Vol. 14, No.11, pp 1193-1195, 2003,-0001,():
-1年11月30日
In this paper the embedded zerotree wavelet (EZW) method and Huffman coding are proposed to compress infrared (IR) spectra. We found that this technique is much better than thers in terms of efficiently coding wavelet coefficients because the zerotree quantization is an effective way of exploiting the self-similarities of wavelet coefficients at various resolutions.
Embedded zerotree wavelet,, compress,, infrared spectra,, wavelet transform.,
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李梦龙, 康彬, 戚华溢, 文志宁
高等学校化学学报,2002,23:1281~1284,-0001,():
-1年11月30日
提出了用于红外光谱小波压缩中压缩性能的评价方法。所建立的控制恢复根均方差算法能在给定恢复根均方差的情况下得到压缩比,控制的精度较高,相对标准偏差约为8%,可以满足对恢复谱图的误差估计和最佳压缩参数评价的需要。对于不同的信号,同一小波函数所表现出来的压缩性能也不一样,所以在预控根均方差算法下评价压缩性能时,还应考虑选择有代表性的红外谱图来进行。
红外光谱, 压缩, 小波变换
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【期刊论文】Sesquiterpene Lactones from Notoseris Porphyrolepis
李梦龙, Feng Lan XU k. Jun TIAN*, Meng Long LI:, Li Sheng DING, Feng E WU
Chinese Chemical Letters Vol. 11, No.10 PP. 905-908, 2000,-0001,():
-1年11月30日
Votoserts porplo'rolep#s. Asteraceae. sesquiterpenc lactones, guaianolides, noto-serolides A and B.
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李梦龙, 罗明亮, 李梦龙*
华学学报,2000,58(11):1409~1412,-0001,():
-1年11月30日
针对化学领域中的非线性关系特点,在常规BP网络基础上,提出了一种“杂交”型BP网络,包含两个隐层,并有输入层到输出层的直连接.它可很好地解释数据中同时存在的线性及非线性关系,效果优于多元回归法及普通BP算法。
BP网络,, 非线性校正,, 定量构效关系
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