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Index « MedMesh.i » - entrée « Molecular Dynamics Simulation »
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Molecular Docking Simulation < Molecular Dynamics Simulation < Molecular Epidemiology  Facettes :

List of bibliographic references

Number of relevant bibliographic references: 18.
Ident.Authors (with country if any)Title
000158 (2020) Jiahua He ; Huanyu Tao ; Yumeng Yan ; Sheng-You Huang ; Yi XiaoMolecular Mechanism of Evolution and Human Infection with SARS-CoV-2.
000816 (2020) Vargab Baruah ; Sujoy BoseImmunoinformatics-aided identification of T cell and B cell epitopes in the surface glycoprotein of 2019-nCoV.
000974 (2018) Gaochan Wu ; Waleed A. Zalloum ; Megan E. Meuser ; Lanlan Jing ; Dongwei Kang ; Chin-Ho Chen ; Ye Tian ; Fangfang Zhang ; Simon Cocklin ; Kuo-Hsiung Lee ; Xinyong Liu ; Peng ZhanDiscovery of phenylalanine derivatives as potent HIV-1 capsid inhibitors from click chemistry-based compound library.
000A09 (2018) Brian L. Venables ; Ny Sin ; Alan Xiangdong Wang ; Li-Qiang Sun ; Yong Tu ; Dennis Hernandez ; Amy Sheaffer ; Min Lee ; Cindy Dunaj ; Guangzhi Zhai ; Diana Barry ; Jacques Friborg ; Fei Yu ; Jay Knipe ; Jason Sandquist ; Paul Falk ; Dawn Parker ; Andrew C. Good ; Ramkumar Rajamani ; Fiona Mcphee ; Nicholas A. Meanwell ; Paul M. ScolaP3-P4 ureas and reverse carbamates as potent HCV NS3 protease inhibitors: Effective transposition of the P4 hydrogen bond donor.
000B48 (2017) Manal Alfuwaires ; Abdallah Altaher ; Mahmoud KandeelMolecular Dynamic Studies of Interferon and Innate Immunity Resistance in MERS CoV Non-Structural Protein 3.
000D02 (2016) Chunmei Li ; Xin Teng ; Yifei Qi ; Bo Tang ; Hailing Shi ; Xiaomin Ma ; Luhua LaiConformational Flexibility of a Short Loop near the Active Site of the SARS-3CLpro is Essential to Maintain Catalytic Activity.
000D26 (2015) Michael Berry ; Burtram C. Fielding ; Junaid GamieldienPotential Broad Spectrum Inhibitors of the Coronavirus 3CLpro: A Virtual Screening and Structure-Based Drug Design Study.
000D87 (2015) Garvita Gupta ; Liangzhong Lim ; Jianxing SongNMR and MD Studies Reveal That the Isolated Dengue NS3 Protease Is an Intrinsically Disordered Chymotrypsin Fold Which Absolutely Requests NS2B for Correct Folding and Functional Dynamics.
000E24 (2015) Michael Berry ; Burtram Fielding ; Junaid GamieldienHuman coronavirus OC43 3CL protease and the potential of ML188 as a broad-spectrum lead compound: homology modelling and molecular dynamic studies.
000E39 (2015) Anirban Ghosh ; Amit S. Pithadia ; Jyotsna Bhat ; Supriyo Bera ; Anupam Midya ; Carol A. Fierke ; Ayyalusamy Ramamoorthy ; Anirban BhuniaSelf-assembly of a nine-residue amyloid-forming peptide fragment of SARS corona virus E-protein: mechanism of self aggregation and amyloid-inhibition of hIAPP.
000F08 (2015) Hao-Jen Hsu ; Meng-Han Lin ; Christina Schindler ; Wolfgang B. FischerStructure based computational assessment of channel properties of assembled ORF-8a from SARS-CoV.
000F63 (2014) Liangzhong Lim ; Jiahai Shi ; Yuguang Mu ; Jianxing SongDynamically-driven enhancement of the catalytic machinery of the SARS 3C-like protease by the S284-T285-I286/A mutations on the extra domain.
001460 (2011) Rima Chaudhuri ; Sishi Tang ; Guijun Zhao ; Hui Lu ; David A. Case ; Michael E. JohnsonComparison of SARS and NL63 papain-like protease binding sites and binding site dynamics: inhibitor design implications.
001508 (2011) Prasenjit Mukherjee ; Falgun Shah ; Prashant Desai ; Mitchell AveryInhibitors of SARS-3CLpro: virtual screening, biological evaluation, and molecular dynamics simulation studies.
001518 (2012) Hao-Jen Hsu ; Wolfgang B. FischerIn silico investigations of possible routes of assembly of ORF 3a from SARS-CoV.
001554 (2011) Johannes Kirchmair ; Simona Distinto ; Klaus Roman Liedl ; Patrick Markt ; Judith Maria Rollinger ; Daniela Schuster ; Gudrun Maria Spitzer ; Gerhard WolberDevelopment of anti-viral agents using molecular modeling and virtual screening techniques.
001624 (2010) Hailong Yang ; Qiongqiong Zhou ; Bo Li ; Yongjian Wang ; Zhongzhi Luan ; Depei Qian ; Hanlu LiGPU acceleration of Dock6's Amber scoring computation.
001649 (2011) Cheng-Chang Chen ; Jens Krüger ; Issara Sramala ; Hao-Jen Hsu ; Peter Henklein ; Yi-Ming Arthur Chen ; Wolfgang B. FischerORF8a of SARS-CoV forms an ion channel: experiments and molecular dynamics simulations.

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