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Resistance mechanism of the oncogenic beta 3-alpha C deletion mutation in BRAF kinase to dabrafenib and vemurafenib revealed by molecular dynamics simulations and binding free energy calculations 期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2019, 卷号: 93, 期号: 2, 页码: 177-187
作者:  Niu, Yuzhen;  Zhang, Yan;  Yao, Xiaojun
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/11
Theoretical investigation of the hydrogen bond interactions of methanol and dimethylamine with hydrazone and its derivatives 期刊论文
STRUCTURAL CHEMISTRY, 2016, 卷号: 27, 期号: 4, 页码: 1241-1253
作者:  Zhao, Hailiang;  Tang, Shanshan;  Li, Siyang;  Ding, Lei;  Du, Lin
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/16
Hydrogen bonding in the carboxylic acid-aldehyde complexes 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1078, 页码: 123-128
作者:  Zhang, Qun;  Du, Lin
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/16
Interplay between binding affinity and kinetics in protein-protein interactions 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2016, 卷号: 84, 期号: 7, 页码: 920-933
作者:  Cao, Huaiqing;  Huang, Yongqi;  Liu, Zhirong
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/16
S100A1 transgenic treatment of acute heart failure causes proteomic changes in rats 期刊论文
MOLECULAR MEDICINE REPORTS, 2016, 卷号: 14, 期号: 2, 页码: 1538-1552
作者:  Guo, Yichen;  Cui, Lianqun;  Jiang, Shiliang;  Wang, Dongmei;  Jiang, Shu
收藏  |  浏览/下载:7/0  |  提交时间:2019/12/16
Phagraphene: A Low-Energy Graphene Allotrope Composed of 5-6-7 Carbon Rings with Distorted Dirac Cones 期刊论文
Nano letters, 2015, 卷号: 15, 期号: 9, 页码: 6182-6186
作者:  Wang, Zhenhai;  Zhou, Xiang-Feng;  Zhang, Xiaoming;  Zhu, Qiang;  Dong, Huafeng
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/17
Theoretical investigation of quasiparticle band structures and optical spectra of large-diameter semiconducting single-walled carbon nanotubes 期刊论文
8th Annual IEEE International Conference on Nano/Micro Engineered and Molecular Systems, IEEE NEMS 2013, 2013, 页码: 64-67
作者:  Xia, Y.Y.;  Mu, J.L.;  Leng, X.;  Ma, Y.C.;  Zhao, M.W.
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/23
P-binder: A system for the protein-protein binding sites identification 期刊论文
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), 2012, 卷号: 7292 LNBI, 页码: 127-138
作者:  Guo, Fei;  Li, Shuai Cheng;  Wang, Lusheng
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/23
Adsorption of formaldehyde on the Fe site of clean and M~(2+) (Ca~(2+), Sr~(2+) and Ba~(2+)) doped LaFeO_3 (010) surface 期刊论文
Applied Surface Science: A Journal Devoted to the Properties of Interfaces in Relation to the Synthesis and Behaviour of Materials, 2011, 卷号: 257, 期号: 20, 页码: 8692-8695
作者:  Lihui Sun;  Jifan Hu;  Feng Gao;  Hongwei Qin
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/23
Theoretical study on the interaction of sulfur- and aminopyridine- containing chelating resins with Hg(II) and Pb(II) 期刊论文
International Journal of Quantum Chemistry, 2011, 卷号: 111, 期号: 5, 页码: 991-1001
作者:  Niu, Y.;  Feng, S.;  Qu, R.;  Ding, Y.;  Wang, D.
收藏  |  浏览/下载:1/0  |  提交时间:2019/12/26


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