Simulation de docking moléculaire < Simulation de dynamique moléculaire < Simulation numérique

Facettes : Author.f AffPays.f AffRegion.f AffVille.f AffOrg.f Mesh.f MeshFr.f KwdFr.f

List of bibliographic references indexed by Simulation de dynamique moléculaire

Number of relevant bibliographic references: 17.

Ident.	Authors (with country if any)	Title
000130 (2021)	Yudibeth Sixto-L Pez [Mexique] ; José Correa-Basurto [Mexique] ; Martiniano Bello [Mexique] ; Bruno Landeros-Rivera [France] ; Jose Antonio Garz N-Tiznado [Mexique] ; Sarita Monta O [Mexique]	Structural insights into SARS-CoV-2 spike protein and its natural mutants found in Mexican population.
000307 (2021)	Shweta A. More [Inde] ; Akshay S. Patil [États-Unis] ; Nikhil S. Sakle [Inde] ; Santosh N. Mokale [Inde]	Network analysis and molecular mapping for SARS-CoV-2 to reveal drug targets and repurposing of clinically developed drugs.
000326 (2021)	C N Prashantha [Inde] ; K. Gouthami [Inde] ; L. Lavanya [Inde] ; Sivaramireddy Bhavanam [Inde] ; Ajay Jakhar [Inde] ; R G Shakthiraju [Inde] ; V. Suraj [Inde] ; K V Sahana [Inde] ; H S Sujana [Inde] ; N M Guruprasad [Inde] ; R. Ramachandra [Inde]	Molecular screening of antimalarial, antiviral, anti-inflammatory and HIV protease inhibitors against spike glycoprotein of coronavirus.
000395 (2021)	Suresh Kumar [Inde] ; Priya Kashyap [Inde] ; Suman Chowdhury [Inde] ; Shivani Kumar [Inde] ; Anil Panwar [Inde] ; Ashok Kumar [Inde]	Identification of phytochemicals as potential therapeutic agents that binds to Nsp15 protein target of coronavirus (SARS-CoV-2) that are capable of inhibiting virus replication.
000466 (2021)	Iram Iqbal Hejazi [Inde] ; Md Amjad Beg [Inde] ; Md Ali Imam [Inde] ; Fareeda Athar [Inde] ; Asimul Islam [Inde]	Glossary of phytoconstituents: Can these be repurposed against SARS CoV-2? A quick in silico screening of various phytoconstituents from plant Glycyrrhiza glabra with SARS CoV-2 main protease.
000481 (2021)	Razieh Morad [Afrique du Sud] ; Mahmood Akbari [Afrique du Sud] ; Parham Rezaee [Iran] ; Amin Koochaki [Iran] ; Malik Maaza [Afrique du Sud] ; Zahra Jamshidi [Iran]	First principle simulation of coated hydroxychloroquine on Ag, Au and Pt nanoparticles.
000738 (2021)	Meetali Sinha [Inde] ; Anshika Gupta [Inde] ; Shristee Gupta [Inde] ; Prakrity Singh [Inde] ; Shraddha Pandit [Inde] ; Shweta Singh Chauhan [Inde] ; Ramakrishnan Parthasarathi [Inde]	Analogue discovery of safer alternatives to HCQ and CQ drugs for SAR-CoV-2 by computational design.
000765 (2021)	Eric Duverger [France] ; Guillaume Herlem [France] ; Fabien Picaud [France]	A potential solution to avoid overdose of mixed drugs in the event of Covid-19: Nanomedicine at the heart of the Covid-19 pandemic.
000983 (2020)	Mohammed H. Shalayel [Arabie saoudite] ; Ghassab M. Al-Mazaideh [Arabie saoudite] ; Saleem H. Aladaileh [Arabie saoudite] ; Farhan K. Al-Swailmi [Arabie saoudite] ; Mohammad G. Al-Thiabat [Malaisie]	Vitamin D is a potential inhibitor of COVID-19: In silico molecular docking to the binding site of SARS-CoV-2 endoribonuclease Nsp15.
000A93 (2020)	A S Achutha [Inde] ; V L Pushpa [Inde] ; Surendran Suchitra [Inde]	Theoretical Insights into the Anti-SARS-CoV-2 Activity of Chloroquine and Its Analogs and In Silico Screening of Main Protease Inhibitors.
000B08 (2020)	Doaa A. Abdelrheem [Égypte] ; Shimaa A. Ahmed [Égypte] ; H R Abd El-Mageed [Égypte] ; Hussein S. Mohamed [Égypte] ; Aziz A. Rahman [Bangladesh] ; Khaled N M. Elsayed [Égypte] ; Sayed A. Ahmed [Égypte]	The inhibitory effect of some natural bioactive compounds against SARS-CoV-2 main protease: insights from molecular docking analysis and molecular dynamic simulation.
000B83 (2020)	Jacques Fantini [France] ; Henri Chahinian [France] ; Nouara Yahi [France]	Synergistic antiviral effect of hydroxychloroquine and azithromycin in combination against SARS-CoV-2: What molecular dynamics studies of virus-host interactions reveal.
000B84 (2020)	Jacques Fantini [France] ; Henri Chahinian [France] ; Nouara Yahi [France]	Synergistic antiviral effect of hydroxychloroquine and azithromycin in combination against SARS-CoV-2: What molecular dynamics studies of virus-host interactions reveal.
000B99 (2020)	Sinosh Skariyachan [Inde] ; Dharshini Gopal [Inde] ; Shweta Chakrabarti [Inde] ; Priya Kempanna [Inde] ; Akshay Uttarkar [Inde] ; Aditi G. Muddebihalkar [Inde] ; Vidya Niranjan [Inde]	Structural and molecular basis of the interaction mechanism of selected drugs towards multiple targets of SARS-CoV-2 by molecular docking and dynamic simulation studies- deciphering the scope of repurposed drugs.
000F21 (2020)	Soumya Basu [Inde] ; Balaji Veeraraghavan [Inde] ; Sudha Ramaiah [Inde] ; Anand Anbarasu [Inde]	Novel cyclohexanone compound as a potential ligand against SARS-CoV-2 main-protease.
000F66 (2020)	Meshari Alazmi [Arabie saoudite] ; Olaa Motwalli	Molecular basis for drug repurposing to study the interface of the S protein in SARS-CoV-2 and human ACE2 through docking, characterization, and molecular dynamics for natural drug candidates.
001047 (2020)	Piero Procacci [Italie] ; Marina Macchiagodena [Italie] ; Marco Pagliai [Italie] ; Guido Guarnieri [Italie] ; Francesco Iannone [Italie]	Interaction of hydroxychloroquine with SARS-CoV2 functional proteins using all-atoms non-equilibrium alchemical simulations.

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