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Effective Virtual Screening Strategy toward heme-containing proteins: Identification of novel IDO1 inhibitors 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 184, 页码: 23
作者:  Zou, Yi;  Hu, Yue;  Ge, Shushan;  Zheng, Yingbo;  Li, Yuezhen
收藏  |  浏览/下载：35/0  |  提交时间：2020/07/01
Homology modeling and 3D-QSAR study of benzhydrylpiperazine delta opioid receptor agonists 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 83, 页码: 9
作者:  Pan, Chenling;  Meng, Hao;  Zhang, Shuqun;  Zuo, Zhili;  Shen, Yuehai
收藏  |  浏览/下载：25/0  |  提交时间：2020/03/18
Record Atomistic Simulation of Crystalline Silicon: Bridging Microscale Structures and Macroscale Properties 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019, 页码: 8
作者:  Hou, Chaofeng;  Zhang, Chenglong;  Ge, Wei;  Wang, Lei;  Han, Lin
收藏  |  浏览/下载：20/0  |  提交时间：2020/03/24
Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity Relationship 期刊论文
FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 15
作者:  Shi, Danfeng;  An, Xiaoli;  Bai, Qifeng;  Bing, Zhitong;  Zhou, Shuangyan
收藏  |  浏览/下载：24/0  |  提交时间：2022/01/19
Molecular dynamics simulation of chip formation mechanism in single-crystal nickel nanomachining 期刊论文
SCIENCE CHINA-TECHNOLOGICAL SCIENCES, 2019, 卷号: 62, 期号: 11, 页码: 1916-1929
作者:  Zhu ZongXiao;  Peng Bin;  Feng RuiCheng;  Wang LinJun;  Jiao Shi
收藏  |  浏览/下载：3/0  |  提交时间：2020/06/02
Concentration fluctuation due to reaction-diffusion coupling near an isolated active site on catalyst surfaces 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2019, 卷号: 373, 页码: 744-754
作者:  Li, Yanping;  Zhao, Mingcan;  Li, Chengxiang;  Ge, Wei
收藏  |  浏览/下载：72/0  |  提交时间：2019/09/03
Molecular dynamics simulation of helium ion implantation into silicon and its migration 期刊论文
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2019, 卷号: 456, 页码: 53-59
作者:  Liu L;  Xu ZW;  Li RR;  Zhu R;  Xu J
收藏  |  浏览/下载：85/0  |  提交时间：2019/10/14
Interwoven Molecular Chains Obtained by Ionic Self-Assembly of Two Iron(III) Porphyrins with Opposite and Mismatched Charges 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2019, 卷号: 11, 期号: 37, 页码: 34203-34211
作者:  Xie, Yan;  Zhong, Qinglu;  Lv, Yang;  Li, Jia;  Hao, Zhiqiang
收藏  |  浏览/下载：77/0  |  提交时间：2019/12/02
The interactions between rhenium and interstitial-type defects in bulk tungsten: A combined study by molecular dynamics and molecular statics simulations 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2019, 卷号: 522, 页码: 200-211
作者:  Chen, Yangchun;  Fang, Jingzhong;  Liu, Lixia;  Hu, Wangyu;  Jiang, Chao
收藏  |  浏览/下载：64/0  |  提交时间：2019/11/10

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