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Browse/Search Results:  1-10 of 22 Help 条数/页： 5101520253035404550556065707580859095100 排序方式： SelectSubmit date AscendingSubmit date DescendingTitle AscendingTitle DescendingIssue Date AscendingIssue Date DescendingAuthor AscendingAuthor Descending Tora3D: an autoregressive torsion angle prediction model for molecular 3D conformation generation 期刊论文  OAI收割 JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 14 Authors:  Zhang, Zimei;  Wang, Gang;  Li, Rui;  Ni, Lin;  Zhang, RunZe   |  Favorite  |  View/Download：34/0  |  Submit date：2023/10/17 Conformations generation  Autoregressive  Transformer  Deep learning  Small molecules   Impact of Polymer Backbone Fluorination on the Charge Generation/Recombination Patterns and Vertical Phase Segregation in Bulk Heterojunction Organic Solar Cells 期刊论文  OAI收割 FRONTIERS IN CHEMISTRY, 2020, 卷号: 8, 页码: 8 Authors:  Shao, Yanqiu;  Chang, Yuying;  Zhang, Suju;  Bi, Mingyue;  Liu, Shengjian   |  Favorite  |  View/Download：53/0  |  Submit date：2020/08/24 bulk heterojunction  polymer backbone fluorination  charge generation and recombination  vertical phase segregation  organic solar cells   Conformation of the Macrocyclic Drug Lorlatinib in Polar and Nonpolar Environments: A MD Simulation and NMR Study 期刊论文  OAI收割 ACS OMEGA, 2019, 卷号: 4, 期号: 26, 页码: 22245-22250 Authors:  Peng, Cheng;  Atilaw, Yoseph;  Wang, Jinan;  Xu, Zhijian;  Poongavanam, Vasanthanathan   |  Favorite  |  View/Download：11/0  |  Submit date：2020/07/01 2D to 3D Manipulation and Assembly of Microstructures Using Optothermally Generated Surface Bubble Microrobots 期刊论文  OAI收割 SMALL, 2019, 页码: 1-9 Authors:  Jiao ND(焦念东);  Liu LQ(刘连庆);  Ge ZX(葛治星);  Dai LG(代利国)   |  Favorite  |  View/Download：68/0  |  Submit date：2019/10/10 3D manipulation  bubble microrobots  hydrogel microstructures  microassembly   Alleviated Inhibition of Single Enzyme in Confined and Crowded Environment 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019, 卷号: 10, 期号: 1, 页码: 82—89 Authors:  Gao, YJ;  Liu, XG;  Sun, LL;  Xu, Y;  Yang, SC   |  Favorite  |  View/Download：37/0  |  Submit date：2019/12/30 HORSERADISH-PEROXIDASE  TIME  KINETICS  PROTEINS  DYNAMICS  OXIDASE  VOLUME   Determining 3D Molecular Conformations with Ultrafast Multiple- Dimensional Vibrational Spectroscopy 期刊论文  OAI收割 ACTA PHYSICO-CHIMICA SINICA, 2017, 卷号: 33, 期号: 1, 页码: 40-62 Authors:  Chen Hai-Long;  Bian Hong-Tao;  Zheng Jun-Rong   |  Favorite  |  View/Download：13/0  |  Submit date：2018/01/10 Multiple-dimensional Vibrational Spectroscopy  Ultrafast Spectroscopy  2d Infrared Spectroscopy  Molecular Conformation  Vibrational Energy Transfer   Structural basis of rifampin inactivation by rifampin phosphotransferase 期刊论文  OAI收割 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2016, 卷号: 113, 期号: 14, 页码: 3803-3808 Authors:  Qi, Xiaofeng;  Lin, Wei;  Ma, Miaolian;  Wang, Chengyuan;  He, Yang   |  Favorite  |  View/Download：21/0  |  Submit date：2019/01/08 antibiotic resistance  rifampin  phosphotransferase  molecular mechanism  toggle switch   Structural insight into substrate preference for TET- mediated oxidation 期刊论文  OAI收割 NATURE, 2015, 卷号: 527, 期号: 7576, 页码: 118-122 Authors:  Hu, Lulu;  Lu, Junyan;  Cheng, Jingdong;  Rao, Qinhui;  Li, Ze   |  Favorite  |  View/Download：32/0  |  Submit date：2019/01/08 丙酮酸脱氢酶激酶共价抑制剂JX06抗肿瘤活性和机制研究（英文） 会议论文  OAI收割 Authors:  孙文怡;  谢作权;  刘逸夫;  赵丹;  武志翔   |  Favorite  |  View/Download：33/0  |  Submit date：2019/01/08 Glucose metabolism  PDHK1  Covalent inhibitor  Cysteine  Responsive cancer subsets   JX06 selectively inhibits pyruvate dehydrogenase kinase 1 by covalently targeting a cysteine residue 会议论文  OAI收割 Authors:  Sun WY(孙文怡);  Xie ZQ(谢作权);  Liu YF(刘逸夫);  Zhao D(赵丹);  Wu ZX(武志翔)   |  Favorite  |  View/Download：17/0  |  Submit date：2019/01/08 Glucose metabolism  PDHK1  Covalent inhibitor  Cysteine  Responsive cancer subsets