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个人简介

教育经历 1990.9 1994.3 厦门大学 化学 博士 1985.9 1988.7 吉林大学 化学 硕士 1979.9 1983.7 兰州大学 化学 学士 工作经历 2011.11 至今 大连理工大学生命科学与技术学院 科研教学 教授 1996.6 1999.2 厦门大学网络计算中心 计算科学 副教授 1994.6 1996.5 中科院福建物质结构研究所 计算化学 博士后

研究领域

1、生物大分子之间以及与小分子的相互作用 2、量子化学精确计算与分块化计算 3、计算机辅助药物设计 4、环境治理催化材料的理性设计和数据库建设

近期论文

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解昭,钟世钧.探究Pd掺杂Au、Ag、Cu、Ni团簇的稳定性[A],2018,1 钟世钧.Assessment of The Peptide-Protein Binding Performances[A],2018 钟世钧.分子间静电相互作用能的计算:用分子静电势还是原子电荷[A],2018 卢晓琴,钟世钧.分子间相互作用计算:重新参数化的B3LYP杂化泛函[A],2017,75-75 刘权,钟世钧.絮凝蛋白柔性loop运动的分步模拟方法[A],2017,1-1 巩梦雪,钟世钧.分子静电势计算以及对分子间静电相互作用能的影响[A],2017,1-1 Gao, Jiaoqi,Feng, Hualiang,Yuan, Wenjie,Li, Yimin,Hou, Shengbo,Zhong, Shijun,Bai, Fengwu.Enhanced fermentative performance under stresses of multiple lignocellulose-derived inhibitors ...[J],BIOTECHNOLOGY FOR BIOFUELS,2017,10(1):79 钟世钧.呈现蛋白质构象转变的插值旋转优化方法[A],2017 袁文杰,钟世钧.Enhanced fermentative performance under stresses of multiple lignocellulose-derived inhibitorsby ...[J],Biotechnology for Biofuels,2017,10:79-92 Gao, Jiaoqi,Yuan, Wenjie,Li, Yimin,Bai, Fengwu,Zhong, Shijun,Jiang, Yu.Application of redox potential control to improve ethanol productivity from inulin by consolida...[J],PROCESS BIOCHEMISTRY,2016,51(10):1544-1551 武希箭,钟世钧.分子动力学方法研究菊粉水解过程[A],2016,1-1 符婷婷,钟世钧.一种逐步增长肽段的柔性对接过程[A],2016,1-1 高彧辉,钟世钧.酵母絮凝蛋白和甘露糖与葡萄糖结合的模式与途径[A],2016,1-1 钟世钧,巩梦雪,孙璐,卢晓琴,崔娟.新型nZaP高斯基组的一些应用[A],2016,1-1 崔娟,钟世钧.提高能量精度的nZaP基组及其CBS外推方案[A],2016,1-1 卢晓琴,钟世钧.提高B3LYP能量精度的nZaP辅助基组[A],2016,1-1 黄梦楠,钟世钧.α-葡萄糖苷酶抑制剂的虚拟筛选和分子动力学模拟[A],2016,1-1 孙璐,钟世钧.利用化学相似性和分子对接方法寻找LRRK2的抑制剂[A],2016,1-1 赵丹,孙璐,钟世钧.PTP1B抑制剂的结合模式与虚拟筛选[A],2016,1-1 钟世钧.一种逐步增长肽段的柔性对接过程(学生符婷婷论文)[A],2016 钟世钧.提高B3LYP能量精度的nZaP辅助基组(学生卢晓琴论文)[A],2016 钟世钧.分子动力学方法研究菊粉水解过程(学生武希箭论文)[A],2016 钟世钧.PTP1B抑制剂的结合模式与虚拟筛选(学生赵丹论文)[A],2016 钟世钧.利用化学相似性和分子对接方法寻找LRRK2的抑制剂(学生孙璐论文)[A],2016 钟世钧.酵母絮凝蛋白和甘露糖与葡萄糖结合的模式与途径(学生高彧辉论文)[A],2016 袁文杰,白凤武,钟世钧.Application of redox potential control to improve ethanolproductivity from inulin by consolidated...[J],Process Biochemistry,2016,51(7):1544-1551 钟世钧.Inhibitor Design for Blocking the Protein-Carbohydrate Interactions[A],2016 钟世钧.α-葡萄糖苷酶抑制剂的虚拟筛选和分子动力学模拟(学生黄梦楠论文)[A],2016 钟世钧.提高能量精度的nZaP基组及其CBS外推方案(学生崔娟论文)[A],2016 Gao, Jiaoqi,Yuan, Wenjie,Kong, Liang,Xiang, Ruijuan,Zhong, Shijun.Efficient ethanol production from inulin by two-stage aerate strategy[J],BIOMASS & BIOENERGY,2015,80:10-16 Yu, Haining,Wang, Yipeng,Lu, Yiling,Qiao, Xue,Wei, Lin,Fu, Tingting,Cai, Shasha,Wang, Chen,Liu, Xuelian,Zhong, Shijun.Novel Cathelicidins from Pigeon Highlights Evolutionary Convergence in Avain Cathelicidins and ...[J],SCIENTIFIC REPORTS,2015,5:11082 Chu, Yuzhuo,Sun, Lu,Zhong, Shijun.How Y357F, Y276F mutants affect the methylation activity of PRDM9: QM/MM MD and free energy sim...[J],JOURNAL OF MOLECULAR MODELING,2015,21(5):125 Li, Tianxia,He, Xinhua,Thomas, Joseph M.,Yang, Dejun,Zhong, Shijun,Xue, Fengtian,Smith, Wanli W..A Novel GTP-Binding Inhibitor, FX2149, Attenuates LRRK2 Toxicity in Parkinson's Disease Models[J],PLOS ONE,2015,10(3):e0122461 袁文杰,钟世钧.Efficient ethanol productions from inulin by two-stage aerate strategy[J],Biomass and Bioenergy,2015,8:10-15 钟世钧.A Novel GTP-Binding Inhibitor, FX2149, Attenuates LRRK2 Toxicity in Parkinsons Disease Models[J],PLoS ONE,2015,10(3):122461-122461 钟世钧,初宇卓.含共价键相互作用的两个蛋白质-配体体系的计算[A],2015,34-34 钟世钧.Covalent bond-contained intermolecular interaction between TB BlaC and carbapenems[A],2015 钟世钧.How the atom charges affect intermolecular interaction: the detailed analysis of pairwise interac...[A],2015 钟世钧.原子电荷对蛋白质-小分子相互作用计算的影响[A],2014,1-1 钟世钧.量子化学nZaP高斯基组以及相关计算方法[A],2014,940-940 钟世钧.Novel LRRK2 GTP-binding inhibitors reduced degeneration in Parkinson’s disease cell and mouse mo...[J],Human Molecular Genetics,2014,23(23):6212-6222 钟世钧.量子化学nZaP 高斯基组以及相关计算方法[A],2014,940-940 钟世钧,赵心清,白凤武.Understanding the cell flocculation of Saccharomyces cerevisiae: Binding and simulation of FLO1 p...[A],2014,389-389 钟世钧.使用能量与几何定位双重评判配体结合模式[A],2013,74-74 钟世钧.Toward Improving the Accuracy in Computing Biomolecular Complexes[A],2013 Zhong, Shijun.Information for rescoring protein-drug binding[J],ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY,2012,244 钟世钧.Information for rescoring protein-drug binding[A],2012

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