🔗 Molecular dynamics

Articles (16)

• A trimerizing GxxxG Motif is uniquely inserted in the severe acute respiratory syndrome (SARS) coronavirus spike protein transmembrane domain

  👤 Arbely, Eyal 👤 Granot, Zvi 👤 Kass, Itamar 👤 Orly, Joseph 👤 Arkin, Isaiah T. ⏰ 2006 📚 Biochemistry

• Immunoinformatics-aided identification of T cell and B cell epitopes in the surface glycoprotein of 2019-nCoV.

  👤 Baruah, Vargab 👤 Bose, Sujoy ⏰ 2020 📚 J Med Virol

• Structural insights into the Middle East respiratory syndrome coronavirus 4a protein and its dsRNA binding mechanism

  👤 Batool, Maria 👤 Shah, Masaud 👤 Patra, Mahesh Chandra 👤 Yesudhas, Dhanusha 👤 Choi, Sangdun ⏰ 2017 📚 Scientific Reports

• Human coronavirus OC43 3CL protease and the potential of ML188 as a broad-spectrum lead compound: Homology modelling and molecular dynamic studies

  👤 Berry, Michael 👤 Fielding, Burtram 👤 Gamieldien, Junaid ⏰ 2015 📚 BMC Structural Biology

• Potential broad spectrum inhibitors of the Coronavirus 3CLpro: A virtual screening and structure-based drug design study

  👤 Berry, Michael 👤 Fielding, Burtram C. 👤 Gamieldien, Junaid ⏰ 2015 📚 Viruses

• Residues on the dimer interface of SARS coronavirus 3C-like protease: Dimer stability characterization and enzyme catalytic activity analysis

  👤 Chen, Shuai 👤 Zhang, Jian 👤 Hu, Tiancen 👤 Chen, Kaixian 👤 Jiang, Hualiang 👤 Shen, Xu ⏰ 2008 📚 Journal of Biochemistry

• Three dimensional model of severe acute respiratory syndrome coronavirus helicase ATPase catalytic domain and molecular design of severe acute respiratory syndrome coronavirus helicase inhibitors

  👤 Hoffmann, Marcin 👤 Eitner, Krystian 👤 Von Grotthuss, Marcin 👤 Rychlewski, Leszek 👤 Banachowicz, Ewa 👤 Grabarkiewicz, Tomasz 👤 Szkoda, Tomasz 👤 Kolinski, Andrzej ⏰ 2006 📚 Journal of Computer-Aided Molecular Design

• Identifying inhibitors of the SARS coronavirus proteinase

  👤 Jenwitheesuk, Ekachai 👤 Samudrala, Ram ⏰ 2003 📚 Bioorganic and Medicinal Chemistry Letters

• Molecular dynamics of Middle East Respiratory Syndrome Coronavirus (MERS CoV) fusion heptad repeat trimers

  👤 Kandeel, Mahmoud 👤 Al-Taher, Abdulla 👤 Li, Huifang 👤 Schwingenschlogl, Udo 👤 Al-Nazawi, Mohamed ⏰ 2018 📚 Computational Biology and Chemistry

• Homology models of main proteinase from coronavirus associated with SARS

  👤 Liu, Hsuan Liang 👤 Lin, Jin Chung 👤 Ho, Yih 👤 Chen, Chin Wen ⏰ 2005 📚 Chemical Physics Letters

• Molecular dynamics simulations of various coronavirus main proteinases

  👤 Liu, Hsuan Liang 👤 Lin, Jin Chung 👤 Ho, Yih 👤 Hsieh, Wei Chan 👤 Chen, Chin Wen 👤 Su, Yuan Chen ⏰ 2004 📚 Journal of Biomolecular Structure and Dynamics

• Homology models and molecular dynamics simulations of main proteinase from coronavirus associated with Severe Acute Respiratory Syndrome (SARS)

  👤 Liu, Hsuan Liang 👤 Lin, Jin Chung 👤 Ho, Yih 👤 Hsieh, Wei Chan 👤 Chen, Chin Wen 👤 Su, Yuan Chen ⏰ 2004 📚 Journal of the Chinese Chemical Society

• Computational studies of drug repurposing and synergism of lopinavir, oseltamivir and ritonavir binding with SARS-CoV-2 Protease against COVID-19.

  👤 Muralidharan, Nisha 👤 Sakthivel, R 👤 Velmurugan, D 👤 Gromiha, M Michael ⏰ 2020 📚 J Biomol Struct Dyn

• In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain).

  👤 Sarma, Phulen 👤 Sekhar, Nishant 👤 Prajapat, Manisha 👤 Avti, Pramod 👤 Kaur, Hardeep 👤 Kumar, Subodh 👤 Singh, Sanjay 👤 Kumar, Harish 👤 Prakash, Ajay 👤 Dhibar, Deba Prasad 👤 Medhi, Bikash ⏰ 2020 📚 J Biomol Struct Dyn

• The transmembrane oligomers of coronavirus protein E

  👤 Torres, Jaume 👤 Wang, Jifeng 👤 Parthasarathy, Krupakar 👤 Liu, Ding Xiang ⏰ 2005 📚 Biophysical Journal

• Identification of novel proteolytically inactive mutations in coronavirus 3C-like protease using a combined approach

  👤 Zhou, Junwei 👤 Fang, Liurong 👤 Yang, Zhixiang 👤 Xu, Shangen 👤 Lv, Mengting 👤 Sun, Zheng 👤 Chen, Jiyao 👤 Wang, Dang 👤 Gao, Jun 👤 Xiao, Shaobo ⏰ 2019 📚 FASEB journal : official publication of the Federation of American Societies for Experimental Biology