科院考研推荐链接:
考研一对一:学长带队,复习不累计算化学
1.计算新材料:主要从事第一原理和密度泛函(DFT)方面的计算机模拟技术研究,应用计算机模拟技术解决环境催化新材料、新能源材料、高分子复合材料、纳米材料和电池材料等在大气净化、水污染处理、固体废弃物处理、石油化工方面的实际问题。研究成果推广后能够产生良好的社会和经济效益。
2.计算机辅助药物设计: ①中草药和天然产物的计算机虚拟筛选;②抗体的结构设计和改造;③ 蛋白质稳定性改进;④药物制剂的结构设计;⑤生物分子膜、生物材料、生物医用材料的结构和功能模拟。
专业方向为化学、化工、环保、环境科学、药学等相关专业。具有一定的计算化学、计算物理或计算生物背景的学生优先考虑;能熟练运用 Materials Studio8.0, Discovery Studio2018,Gaussian09,ADF, Hyperchem, VASP或Spartan等一些常用的计算软件的学生优先考虑。
2001.07-2006.07北京中国科学院生态与环境研究中心,环境科学专业,博士
联系电话: 15899218136 (微信同)
E-mail: gaohongw369@163.com
QQ: 1921239553
1)第10批国家青年****,2014.1.24,环境科学与技术;中共中央组织部;
2) 2010.12.23, 柴油车氮氧化物净化技术的计算机模拟研究,浙江省高等学校科研成果奖二等奖;浙江省教育厅;
3) 2009.08.18,浙江省“新世纪151人才工程”第三层次培养人员等,浙江省“新世纪151人才工程”联席会议办公室;
4) 2010年温州市“新世纪551人才工程”第三层次培养人员;
5) 2010年温州市优秀科技特派员;
6) 2010年温州医科大学第二批校级中青年学科带头人。
1区代表性第一作者或通讯作者SCI论文2篇:
[1] Hongwei Gao*, Predicting tyrosinase inhibition by 3D QSAR pharmacophore models and designing potential tyrosinase inhibitors from Traditional Chinese Medicine Database, Phytomedicine, 2018, 38, 145-157. (2017 IF=3.526,1区,全科医学与补充医学,SCIE)
[2] Hongwei Gao*, CO Oxidation Mechanism on the γ-Al2O3 Supported Single Pt Atom: First Principle Study, Applied Surface Science, 2016, 379, 347-357.(2017 IF=3.387,1区,材料科学:膜,SCI,SCIE)
2区代表性第一作者或通讯作者SCI论文20篇:
[3] Gulmira Turdu, Yingying Jiang, Madina Kabas,Azizullo Musoev, Hongwei Gao*, Dipeptidyl peptidase-IV inhibitors as anti-diabetic agents – A brief review,Future Medicinal Chemistry, 2018, 10(10): 1229-1239. (2017 IF=3.556, 2区,药物化学,SCIE)
[4] Azizullo Musoev, Sodik Numonov, Yingying Jiang, Hongwei Gao*,Madina Kabas, The novel inhibitors of DPP-IV predicted by 3D QSAR pharmacophore models, molecular docking and de novo evolution,Future Medicinal Chemistry, 2018, in press, xxx-xxx. (2017 IF=3.556, 2区,药物化学,SCIE)
[5] Hongwei Gao*, Theoretical analysis of CO + NO reaction mechanism on the single Pd atom embedded in γ-Al2O3(110) surface,Applied Catalysis A: General,2017, 529, 156-166. (2017 IF=4.339,2区,化学,SCI,SCIE)
[6] Ting Chen, Hui Yang, Hongwei Gao, Mingkai Fu, Shizhe Huang, Wei Zhang, Guangxin Hu, Fanghui Liu, Aiqing Ma, Keji Sun, and Jinben Wang, Adsorption and Orientation of 3,4-Dihydroxy‑L‑phenylalanine onto Tunable Monolayer Films, J. Phys. Chem. C, 2017, 121, 11544-11551.(2017 IF=4.536,2区,化学,SCI,SCIE)
[7]Yue Yang, Hongwei Gao*, Density functional theory study on the molecular structure and vibration spectra of fenbufen, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013, 101, 119-126. (2017 IF=2.536,2区,物理,SCI,SCIE)
[8]Yue Yang, Hongwei Gao*, Theoretical structure and vibrational spectra of ciprofloxacin: Density functional theory study, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013, 102, 134-141. (2017 IF=2.536,2区,物理,SCI,SCIE)
[9] Lekun Liu, Hongwei Gao*, Zhaozhe Cui, Molecular structure and vibrational spectra studies on antipyrine derivative, 4-(2,3,4-trihydroxybenzylideneamino) antipyrine, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013, 112, 191-197. (2017 IF=2.536,2区,物理,SCI,SCIE)
[10] Hongwei Gao*, Yue Yang, Lekun Liu, A comparative DFT study of the structure and vibration spectra of the intermediate of the OCS heterogeneous reaction, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2012, 86, 115-119. (2017 IF=2.536,2区,物理,SCI,SCIE)
[11] Lekun Liu, Hongwei Gao*, Quantum chemistry study of molecular structure and vibrational spectrum of naproxen, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2012, 86, 131-138. (2017 IF=2.536,2区,物理,SCI,SCIE)
[12] Lekun Liu, Hongwei Gao*, Molecular structure and vibrational spectra of ibuprofen using density function theory calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2012, 89, 201-209. (2017 IF=2.536,2区,物理,SCI,SCIE)
[13]Yue Yang, Hongwei Gao*, Comparison of DFT methods for molecular structure and vibration spectra of ofloxacin calculations, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2012, 85, 303-309. (2017 IF=2.536,2区,物理,SCI,SCIE)
[14] Lekun Liu, Hongwei Gao*, First principles study on the molecular structure and vibrational spectra of ketoprofen, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2012, 97, 329-339. (2017 IF=2.536,2区,物理,SCI,SCIE)
[15] Hongwei Gao*, FengYi Xia, Changjiang Huang, Kuangfei Lin*, Density functional theory calculations on the molecular structures and vibration spectra of platinum (II) antitumor drugs, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2011, 78, 1234-1239. (2017 IF=2.536,2区,物理,SCI,SCIE)
[16] Huizhi Lv, Hongwei Gao*, Yue Yang, Lekun Liu,Density functional theory (DFT) investigation on the structure and electronic properties of the cubic perovskite PbTiO3,Applied Catalysis A: General, 2011, 404, 54-58. (2017 IF=4.339,2区,化学,SCI,SCIE)
[17] Hongwei Gao*,Theoretical studies of molecular structures and properties of platinum (II) antitumor drugs, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2011, 79, 687-693(2017 IF=2.536,2区,物理,SCI,SCIE)
[18] Hongwei Gao*, Xiujuan Wei, Xuting Liu,Changjiang Huang*, DFT calculation of molecular structures and vibrational spectra of antitumor drugs: cis-[Pt(CH3CN)2Cl2],Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2010, 77, 461-465. (2017 IF=2.536,2区,物理,SCI,SCIE)
[19] Hongwei Gao*, Tingxia Yan, Yunbo Yu, Hong He,DFT and DRIFTS studies on the adsorption of acetate on the Ag/Al2O3 catalyst,J. Phys. Chem. C, 2008, 112 (17), 6933-6938. (2017 IF=4.536,2区,化学,SCI,SCIE)
[20] Hongwei Gao*, Wenqing Xu, Hong He, Xiaoyan Shi, Ken-ichi Tanaka, DRIFTS investigation and DFT calculation of the adsorption of CO on Pt/TiO2, Pt/CeO2and FeOx/Pt/CeO2., Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2008, 71(4), 1193-1198. (2017 IF=2.536,2区,物理,SCI,SCIE)
[21] Hongwei Gao and Hong He*, Conformational analysis and comparison between theoretical and experimental vibration spectra for isocyanate species on Ag/Al2O3 catalyst, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2005, 61(6), 1233-1238. (2017 IF=2.536,2区,物理,SCI,SCIE)
[22] Hongwei Gao, Hong He*, Qingcai Feng, and Jin Wang, Theoretical and experimental study on formation and adsorption of enolic species on Ag-Pd/Al2O3catalyst, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2005, 61, 3117-3123. (2017 IF=2.536,2区,物理,SCI,SCIE)