Comparisons of different force fields in conformational analysis and searching of organic molecules: A review (English)
- New search for: Lewis-Atwell, Toby
- Further information on Lewis-Atwell, Toby:
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- New search for: Townsend, Piers A.
- Further information on Townsend, Piers A.:
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- New search for: Townsend, Piers A.
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In:
Tetrahedron
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79
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2020
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Comparisons of different force fields in conformational analysis and searching of organic molecules: A review
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Contributors:
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Published in:Tetrahedron ; 79
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Publisher:
- New search for: Elsevier Ltd
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Publication date:2020-12-06
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 79
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
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Dimeric and monomeric dihydrostilbenes from the roots of Stemona mairei together with their hypoglycemic activitiesShi, Bao-Bao / Wang, Fang / Chen, Gao / Schinnerl, Johann / Zeng, Ying / Cai, Xiang-Hai et al. | 2020
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Perspective: Reflections on a career in synthetic organic chemistry, 1970 to 2020Taylor, Richard J.K. et al. | 2020
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Access to 6-difluoromethylpyridines by ZnBr2-catalyzed cascade michael addition/ annulationYang, Tianyu / Deng, Zhoubin / Wang, Ke-Hu / Li, Pengfei / Lv, Yuyu / Huang, Danfeng / Shang, Yongwei / Su, Yingpeng / Hu, Yulai et al. | 2020
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Applanhydrides A and B, lanostane triterpenoids with unprecedented seven-membered cyclo-anhydride in ring C from Ganoderma applanatumGao, Jie / Chen, Yu / Liu, Wei / Liu, Yushuang / Li, Miaomiao / Chen, Guangying / Yuan, Tao et al. | 2020
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Microconine [N-methyl-2-methyl-3-methoxy-6-(deca-l’,3′,5′-trienyl)piperidine, an alkaloid from Microcos paniculata]: Synthesis, stereochemistry and spectroscopic dataDavies, Stephen G. / Fletcher, Ai M. / Roberts, Paul M. / Taylor, Cameron E. / Thomson, James E. et al. | 2020
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Regioselective synthesis of spirobarbiturate-dihydrofurans and dihydrofuro[2,3-d]pyrimidines via one-pot cascade reaction of barbiturate-based olefins and ethyl acetoacetateLiu, Songtao / Shao, Pei / Li, Yanli / Wang, Donghao / Hou, Deshan / Qu, Chaofan / Song, Xixi / Yan, Xuebin et al. | 2020
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Novel transformation of aryl 2-iodophenyl ketones into 1,3-diarylisoquinolines with (TMS)2NH, styrenes, NIS, and tBuOKShibasaki, Kaho / Togo, Hideo et al. | 2020
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Induction of ambuic acid derivatives by the endophytic fungus Pestalotiopsis lespedezae through an OSMAC approachYu, Xiaoqin / Gao, Ying / Frank, Marian / Mándi, Attila / Kurtán, Tibor / Müller, Werner E.G. / Kalscheuer, Rainer / Guo, Zhiyong / Zou, Kun / Liu, Zhen et al. | 2020
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l-Proline N-oxide dihydrazides as an efficient ligand for cross-coupling reactions of aryl iodides and bromides with amines and phenolsDing, Zhiqiang / Nie, Nan / Chen, Tian / Meng, Lingxin / Wang, Gongshu / Chen, Zhangpei / Hu, Jianshe et al. | 2020
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Development of a practical synthesis to PI3K α-selective inhibitor GDC-0326Koenig, Stefan G. / Green, Keena L. / Müller, Barbara / Sowell, C. Gregory / Askin, David / Gosselin, Francis et al. | 2020
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Stereoisomerization of human constitutive androstane receptor agonist CITCODiethelm-Varela, Benjamin / Kumar, Anmol / Lynch, Caitlin / Imler, Gregory H. / Deschamps, Jeffrey R. / Li, Yue / Xia, Menghang / MacKerell, Alexander D. Jr. / Xue, Fengtian et al. | 2020
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Total synthesis of (−)-CryptofolioneVaithegi, Kannan / Prasad, Kavirayani R. et al. | 2020
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3D-printed cartridge system for in-flow photo-oxygenation of 7-aminothienopyridinonesRastelli, Ettore J. / Yue, Doris / Millard, Caroline / Wipf, Peter et al. | 2020
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Synthesis of leuconoxine, leuconodine B, and rhazinilam by transformation of melodinine E via 6-hydro-21-dehydroxyleuconolamUmehara, Atsushi / Ueda, Hirofumi / Tokuyama, Hidetoshi et al. | 2020
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Efficient formation of C–S bond using heterocyclic thiones and arynesAn, Yu / Xu, Gang / Cai, Menglu / Wang, Shihui / Wang, Xiao zhong / Chen, Yingqi / Dai, Liyan et al. | 2020
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The xanthate route to lactamsZard, Samir Z. et al. | 2020
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Activated charcoal supported copper nanoparticles: A readily available and inexpensive heterogeneous catalyst for the N-arylation of primary amides and lactams with aryl iodidesZhao, Rong / Dong, Wenwen / Teng, Jiangge / Wang, Zhiwei / Wang, Yunzhong / Yang, Jianguo / Jia, Qiang / Chu, Changhu et al. | 2020
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Selective synthesis of 1-halonaphthalenes by copper-catalyzed benzannulationUmeda, Rui / Ueda, Ryo / Tanaka, Taiki / Hayashi, Akitsugu / Ikeshita, Masahiro / Suzuki, Shuichi / Naota, Takeshi / Nishiyama, Yutaka et al. | 2020
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Graphical Abstract TOC cont'd| 2021
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Synthesis of sp3-rich chemical libraries based upon 1,2-diazetidinesDean, Conor / Roesner, Stefan / Rajkumar, Sundaram / Clarkson, Guy J. / Jones, Matthew / Shipman, Michael et al. | 2020
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Michael addition of amines to sterically crowded ortho-benzoquinone completed with unprecedented 1,2-shift of a tert-butyl groupIvakhnenko, Eugeny / Malay, Vasily / Romanenko, Galina / Demidov, Oleg / Knyazev, Pavel / Starikov, Andrey / Minkin, Vladimir et al. | 2020
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Comparisons of different force fields in conformational analysis and searching of organic molecules: A reviewLewis-Atwell, Toby / Townsend, Piers A. / Grayson, Matthew N. et al. | 2020
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Editorial Board| 2021
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Enantioselective C(sp2)–H borylation of diarylmethylsilanes catalyzed by chiral pyridine-dihydroisoquinoline iridium complexesPark, Dongseong / Baek, Doohyun / Lee, Chi-Woo / Ryu, Huijeong / Park, Seungchul / Han, Woosong / Hong, Sukwon et al. | 2020
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Copper-mediated formal [5+1] annulation of 2-vinylanilines and glyoxylic acid: A facile approach for the synthesis of 4-arylated quinolinesXiang, Yunyu / Luo, Puying / Hao, Tianxin / Xiong, Weikang / Song, Xiaolin / Ding, Qiuping et al. | 2020
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Palladium-catalyzed desymmetric [2+2+2] cycloaddition of 1,6-enyne and alkyneZhao, Wei-Cheng / Wang, Xin / Feng, Juhua / Tian, Ping / He, Zhi-Tao et al. | 2020
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Synthesis of CF2H-containing isoquinoline-1,3-diones through metal-free, visible-light and air-promoted radical difluoromethylation/cyclization of N-benzamidesShao, Jiaxuan / Wang, Youjia / Chen, Silu / Wang, Shaowei / Wu, Yanhui / Li, Xulian / Zhang, Weihua / Deng, Chao et al. | 2020
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Traceless selenocarboxylates for the one-pot synthesis of amides and derivativesSilva, Luana / Rosário, Alisson R. / Machado, Bianca M. / Lüdtke, Diogo S. et al. | 2020
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Stereodivergent synthesis of piperidine iminosugars 1-deoxy-D-nojirimycin and 1-deoxy-D-altronojirimycinDe Angelis, Martina / Sappino, Carla / Mandic, Emanuela / D’Alessio, Marianna / De Dominicis, Maria Grazia / Sannino, Sara / Primitivo, Ludovica / Mencarelli, Paolo / Ricelli, Alessandra / Righi, Giuliana et al. | 2020
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Dramatic influence of ester steric hindrance on the diastereoselectivity of a Michael addition towards the synthesis of the ABC tricycle of hexacyclinic acidAudic, Alexandre / Oriez, Raphaël / Prunet, Joëlle et al. | 2020
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Graphical abstract TOC| 2021
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A new water-soluble polymer fluorescent chemosensor with thiophene Schiff base site for selectively sensing Al3+ ionsXu, Yuhang / Kong, Liuqi / Bai, Liping / Chen, Amin / Li, Na / Cheng, Lijuan / Liu, Wenjie / Sun, Xiaoqing / Tao, Farong / Wang, Liping et al. | 2020
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First discovery of pimprinine derivatives and analogs as novel potential herbicidal, insecticidal and nematicidal agentsZhang, Ming-Zhi / Mulholland, Nick / Seville, Anne / Hough, Gemma / Smith, Nicholas / Dong, Hong-Qiang / Zhang, Wei-Hua / Gu, Yu-Cheng et al. | 2020
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Cu(I)–N-heterocyclic carbene-catalyzed base free C–N bond formation of arylboronic acids with amines and azolesZhang, Maoyuan / Xu, Zengbing / Shi, Dabin et al. | 2020