報告題目：分子動力學模擬在高精度蛋白質結構預測中的應用

Application of Molecular Dynamics Simulation in High Accuracy Protein Structure Prediction

報  告 人: 蔣帆 Jiang Fan（副研究員）

北京大學深圳研究生院化學生物學與生物技術EON4

報告時間: 10月27日 10:00

報告地點: 閔行校區生物藥學樓3-105會議室

聯  系 人🦼：趙一雷 This e-mail address is being protected from spambots. You need JavaScript enabled to view it.

蔣帆簡介:

北京大學深圳研究生院化學生物學與生物技術EON4副研究員🎮🧑，博士生導師。蔣帆多年來致力於用計算機為工具研究重要的化學和生物學問題✋🏿，特別是和疾病相關的各種復雜反應機製等，在PNAS, JACS, Angew, JPCL等學術期刊上發表論文20篇，被引用超過800次。目前的主要研究方向是改進現有的蛋白質分子力場並將新力場運用於解決多肽的蛋白質的高精度結構預測問題。

代表性成果:

1. Xun, S.; Jiang, F.;* Wu, Y.-D.* Significant refinement of protein structure models using a residue-specific force field. J. Chem. Theory Comput. 2015, 11, 1949–1956

2. Jiang, F.;* Wu, Y.-D.* Folding of fourteen small proteins with a residue-specific force field and replica-exchange molecular dynamics. J. Am. Chem. Soc. 2014, 136, 9536–9539.

3. Jiang, F.;* Zhou, C.-Y.; Wu, Y.-D.* Residue-specific force field based on the protein coil library. RSFF1: modification of OPLS-AA/L. J. Phys. Chem. B 2014, 118, 6983–6998. (封面文章)

4. Jiang, F.; Han, W.; Wu, Y.-D. The intrinsic conformational features of amino acids from a protein coil library and their applications in force field development. Phys. Chem. Chem. Phys. 2013, 15, 3413–3428. (特邀perspective文章)