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Conformation of the Macrocyclic Drug Lorlatinib in Polar and Nonpolar Environments: A MD Simulation and NMR Study 期刊论文
ACS OMEGA, 2019, 卷号: 4, 期号: 26, 页码: 22245-22250
作者:  Peng, Cheng;  Atilaw, Yoseph;  Wang, Jinan;  Xu, Zhijian;  Poongavanam, Vasanthanathan
收藏  |  浏览/下载：23/0  |  提交时间：2020/07/01
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：34/0  |  提交时间：2020/07/01
Effect of hydrogen atom concentration on hydrogen migration and bubble evolution in bcc iron 期刊论文
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2019, 卷号: 461, 页码: 83-87
作者:  Wei, Y. X.;  Gao, N.;  Wang, D.;  Chen, C.;  Guo, L. P.
收藏  |  浏览/下载：11/0  |  提交时间：2022/01/19
Molecular dynamics simulation studies of displacement cascade induced defects in gold nanotubes 期刊论文
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2019, 卷号: 461, 页码: 142-148
作者:  Liu, Wenqiang;  Chen, Yonghui;  Duan, Jinglai;  Chen, Piheng;  Qiu, Ruizhi
收藏  |  浏览/下载：18/0  |  提交时间：2022/01/19
The molecular mechanism of robust macrophage immune responses induced by PEGylated molybdenum disulfide 期刊论文
NANOSCALE, 2019, 卷号: 11, 期号: 46, 页码: 22293-22304
作者:  Gu, Zonglin;  Chen, Serena H.;  Ding, Zhaowen;  Song, Wei;  Wei, Wei
收藏  |  浏览/下载：6/0  |  提交时间：2020/03/24
Clustering and dislocation loop punching induced by different noble gas bubbles in tungsten: a molecular dynamics study 期刊论文
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2019, 卷号: 27, 期号: 8, 页码: 17
作者:  Gao, Fei;  Hu, Wangyu;  Chen, Yangchun;  Gao, Ning;  Fang, Jingzhong
收藏  |  浏览/下载：91/0  |  提交时间：2019/11/10
Modeling of atomistic scale shear failure of Ag/MgO interface with misfit dislocation network 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 170, 页码: UNSP 109151
作者:  Fu XQ(付雪琼);  Liang LH(梁立红);  Wei YG(魏悦广)
收藏  |  浏览/下载：89/0  |  提交时间：2019/12/17
Langevin dynamics with energy dissipation on periodic lattice structures modeling as an equivalent two-body method for atom-surface interactions 期刊论文
MATERIALS RESEARCH EXPRESS, 2019, 卷号: 6, 期号: 12, 页码: 125507
作者:  Zeng DD(曾丹丹);  Liu C(刘崇);  Jiang JZ(蒋建政);  Fan J(樊菁)
收藏  |  浏览/下载：60/0  |  提交时间：2019/12/17
FastNBL: fast neighbor lists establishment for molecular dynamics simulation based on bitwise operations (vol 457, pg 235, 2020) 期刊论文
JOURNAL OF SUPERCOMPUTING, 2019, 卷号: 75, 期号: 12, 页码: 8339-8340
作者:  Li, Kun;  Li, Shigang;  Huang, Shan;  Chen, Yifeng;  Zhang, Yunquan
收藏  |  浏览/下载：1/0  |  提交时间：2020/12/10
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：24/0  |  提交时间：2020/03/18

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