cfd simulation software cfd 2019 Search Results


lamivudine against covid 19 in silico  (Thermo Fisher)
94
Thermo Fisher lamivudine against covid 19 in silico
Docking of Lamivudine into the catalytic domain of the first structural model of SARS-CoV-RdRp. Two Lamivudine clusters (sticks) are bound to the catalytic site. The surface of the Chain A of the SARS-CoV-RdRp (PDB_id IO5S.pdb) is shown, with oxygen in red, nitrogen in blue, and aliphatic atoms in beige. Some conserved catalytic residues are depicted in purple. Both Lamivudine clusters are on close proximity to the catalytic residues in a position suitable for productive inhibition of RNA polymerization. The binding energy (ΔG°) is −9.05 kcal/mol for the more enriched 3-TC cluster (see <xref ref-type= Table 1 ). A more recent structure was used to improve the quality of this first docking analysis. Docking was carried out as described in the text, see anti-COVID-19 repurposing for details. " width="250" height="auto" />
Lamivudine Against Covid 19 In Silico, supplied by Thermo Fisher, used in various techniques. Bioz Stars score: 94/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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lamivudine against covid 19 in silico - by Bioz Stars, 2026-06
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translocation simulation  (Gilead Sciences)
99
Gilead Sciences translocation simulation
Docking of Lamivudine into the catalytic domain of the first structural model of SARS-CoV-RdRp. Two Lamivudine clusters (sticks) are bound to the catalytic site. The surface of the Chain A of the SARS-CoV-RdRp (PDB_id IO5S.pdb) is shown, with oxygen in red, nitrogen in blue, and aliphatic atoms in beige. Some conserved catalytic residues are depicted in purple. Both Lamivudine clusters are on close proximity to the catalytic residues in a position suitable for productive inhibition of RNA polymerization. The binding energy (ΔG°) is −9.05 kcal/mol for the more enriched 3-TC cluster (see <xref ref-type= Table 1 ). A more recent structure was used to improve the quality of this first docking analysis. Docking was carried out as described in the text, see anti-COVID-19 repurposing for details. " width="250" height="auto" />
Translocation Simulation, supplied by Gilead Sciences, used in various techniques. Bioz Stars score: 99/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/translocation simulation/product/Gilead Sciences
Average 99 stars, based on 1 article reviews
translocation simulation - by Bioz Stars, 2026-06
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fluent version-2019 r2  (ANSYS inc)
90
ANSYS inc fluent version-2019 r2
Docking of Lamivudine into the catalytic domain of the first structural model of SARS-CoV-RdRp. Two Lamivudine clusters (sticks) are bound to the catalytic site. The surface of the Chain A of the SARS-CoV-RdRp (PDB_id IO5S.pdb) is shown, with oxygen in red, nitrogen in blue, and aliphatic atoms in beige. Some conserved catalytic residues are depicted in purple. Both Lamivudine clusters are on close proximity to the catalytic residues in a position suitable for productive inhibition of RNA polymerization. The binding energy (ΔG°) is −9.05 kcal/mol for the more enriched 3-TC cluster (see <xref ref-type= Table 1 ). A more recent structure was used to improve the quality of this first docking analysis. Docking was carried out as described in the text, see anti-COVID-19 repurposing for details. " width="250" height="auto" />
Fluent Version 2019 R2, supplied by ANSYS inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/fluent version-2019 r2/product/ANSYS inc
Average 90 stars, based on 1 article reviews
fluent version-2019 r2 - by Bioz Stars, 2026-06
90/100 stars
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3d simulation software  (Cell Signaling Technology Inc)
96
Cell Signaling Technology Inc 3d simulation software
Docking of Lamivudine into the catalytic domain of the first structural model of SARS-CoV-RdRp. Two Lamivudine clusters (sticks) are bound to the catalytic site. The surface of the Chain A of the SARS-CoV-RdRp (PDB_id IO5S.pdb) is shown, with oxygen in red, nitrogen in blue, and aliphatic atoms in beige. Some conserved catalytic residues are depicted in purple. Both Lamivudine clusters are on close proximity to the catalytic residues in a position suitable for productive inhibition of RNA polymerization. The binding energy (ΔG°) is −9.05 kcal/mol for the more enriched 3-TC cluster (see <xref ref-type= Table 1 ). A more recent structure was used to improve the quality of this first docking analysis. Docking was carried out as described in the text, see anti-COVID-19 repurposing for details. " width="250" height="auto" />
3d Simulation Software, supplied by Cell Signaling Technology Inc, used in various techniques. Bioz Stars score: 96/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/3d simulation software/product/Cell Signaling Technology Inc
Average 96 stars, based on 1 article reviews
3d simulation software - by Bioz Stars, 2026-06
96/100 stars
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anodic stimulation  (Vorwerk Elektrowerke GmbH Co KG)
90
Vorwerk Elektrowerke GmbH Co KG anodic stimulation
2.7. Empirical determination of the sensitivity threshold α
Anodic Stimulation, supplied by Vorwerk Elektrowerke GmbH Co KG, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/anodic stimulation/product/Vorwerk Elektrowerke GmbH Co KG
Average 90 stars, based on 1 article reviews
anodic stimulation - by Bioz Stars, 2026-06
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transient cfd simulation  (Autodesk Inc)
86
Autodesk Inc transient cfd simulation
2.7. Empirical determination of the sensitivity threshold α
Transient Cfd Simulation, supplied by Autodesk Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Average 86 stars, based on 1 article reviews
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cst microwave studio  (Dassault Systemes)
86
Dassault Systemes cst microwave studio
2.7. Empirical determination of the sensitivity threshold α
Cst Microwave Studio, supplied by Dassault Systemes, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Average 86 stars, based on 1 article reviews
cst microwave studio - by Bioz Stars, 2026-06
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gromacs md software version 2019 3  (Molecular Dynamics Inc)
86
Molecular Dynamics Inc gromacs md software version 2019 3
2.7. Empirical determination of the sensitivity threshold α
Gromacs Md Software Version 2019 3, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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tradewinds exercise 2019  (Tradewinds Inc)
90
Tradewinds Inc tradewinds exercise 2019
2.7. Empirical determination of the sensitivity threshold α
Tradewinds Exercise 2019, supplied by Tradewinds Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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commercial cfd solver ansys fluent release 2019 r3  (ANSYS inc)
90
ANSYS inc commercial cfd solver ansys fluent release 2019 r3
2.7. Empirical determination of the sensitivity threshold α
Commercial Cfd Solver Ansys Fluent Release 2019 R3, supplied by ANSYS inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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desmond software  (Molecular Dynamics Inc)
86
Molecular Dynamics Inc desmond software
2.7. Empirical determination of the sensitivity threshold α
Desmond Software, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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charmmgui solution builder  (Molecular Dynamics Inc)
86
Molecular Dynamics Inc charmmgui solution builder
2.7. Empirical determination of the sensitivity threshold α
Charmmgui Solution Builder, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Average 86 stars, based on 1 article reviews
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Image Search Results


Docking of Lamivudine into the catalytic domain of the first structural model of SARS-CoV-RdRp. Two Lamivudine clusters (sticks) are bound to the catalytic site. The surface of the Chain A of the SARS-CoV-RdRp (PDB_id IO5S.pdb) is shown, with oxygen in red, nitrogen in blue, and aliphatic atoms in beige. Some conserved catalytic residues are depicted in purple. Both Lamivudine clusters are on close proximity to the catalytic residues in a position suitable for productive inhibition of RNA polymerization. The binding energy (ΔG°) is −9.05 kcal/mol for the more enriched 3-TC cluster (see <xref ref-type= Table 1 ). A more recent structure was used to improve the quality of this first docking analysis. Docking was carried out as described in the text, see anti-COVID-19 repurposing for details. " width="100%" height="100%">

Journal: Frontiers in Oncology

Article Title: Putative Repurposing of Lamivudine, a Nucleoside/Nucleotide Analogue and Antiretroviral to Improve the Outcome of Cancer and COVID-19 Patients

doi: 10.3389/fonc.2021.664794

Figure Lengend Snippet: Docking of Lamivudine into the catalytic domain of the first structural model of SARS-CoV-RdRp. Two Lamivudine clusters (sticks) are bound to the catalytic site. The surface of the Chain A of the SARS-CoV-RdRp (PDB_id IO5S.pdb) is shown, with oxygen in red, nitrogen in blue, and aliphatic atoms in beige. Some conserved catalytic residues are depicted in purple. Both Lamivudine clusters are on close proximity to the catalytic residues in a position suitable for productive inhibition of RNA polymerization. The binding energy (ΔG°) is −9.05 kcal/mol for the more enriched 3-TC cluster (see Table 1 ). A more recent structure was used to improve the quality of this first docking analysis. Docking was carried out as described in the text, see anti-COVID-19 repurposing for details.

Article Snippet: We assessed the re-usage of Lamivudine against COVID-19 in silico by docking Lamivudine into the cryo-EM structures of the SARS-CoV-2-RdRp catalytic chain.

Techniques: Inhibition, Binding Assay

2.7. Empirical determination of the sensitivity threshold α

Journal: Journal of neural engineering

Article Title: A retrospective evaluation of automated optimization of deep brain stimulation parameters

doi: 10.1088/1741-2552/ab35b1

Figure Lengend Snippet: 2.7. Empirical determination of the sensitivity threshold α

Article Snippet: Furthermore, given that recent simulation studies have demonstrated the possible benefit of anodic stimulation ( Anderson, Duffley, Vorwerk, Dorval and Butson; 2019 ), the optimization algorithm should also be evaluated without being restricted to cathodic stimulation in both computational and patient studies.

Techniques:

a) Target activation, measured in % of ΩVIM for which ap is above the sensitivity α, for the result of the optimization algorithm (purple) and clinically chosen stimulation setting (orange). b) Predicted power consumption for the result of the optimization algorithm and clinically chosen setting.

Journal: Journal of neural engineering

Article Title: A retrospective evaluation of automated optimization of deep brain stimulation parameters

doi: 10.1088/1741-2552/ab35b1

Figure Lengend Snippet: a) Target activation, measured in % of ΩVIM for which ap is above the sensitivity α, for the result of the optimization algorithm (purple) and clinically chosen stimulation setting (orange). b) Predicted power consumption for the result of the optimization algorithm and clinically chosen setting.

Article Snippet: Furthermore, given that recent simulation studies have demonstrated the possible benefit of anodic stimulation ( Anderson, Duffley, Vorwerk, Dorval and Butson; 2019 ), the optimization algorithm should also be evaluated without being restricted to cathodic stimulation in both computational and patient studies.

Techniques: Activation Assay

Change in predicted target activation and predicted power consumption for optimized stimulation settings in comparison to monopolar stimulation with the best therapeutic effect.

Journal: Journal of neural engineering

Article Title: A retrospective evaluation of automated optimization of deep brain stimulation parameters

doi: 10.1088/1741-2552/ab35b1

Figure Lengend Snippet: Change in predicted target activation and predicted power consumption for optimized stimulation settings in comparison to monopolar stimulation with the best therapeutic effect.

Article Snippet: Furthermore, given that recent simulation studies have demonstrated the possible benefit of anodic stimulation ( Anderson, Duffley, Vorwerk, Dorval and Butson; 2019 ), the optimization algorithm should also be evaluated without being restricted to cathodic stimulation in both computational and patient studies.

Techniques: Activation Assay, Comparison

P1R - Visualization of VIM (green), ap and af mapped on Vc and IC (left colorbar in mV/mm2) and stimulation voltage mapped on lead contacts (right colorbar in V), respectively, for a) optimization result and b) monopolar stimulation with 2.5 V at C3.

Journal: Journal of neural engineering

Article Title: A retrospective evaluation of automated optimization of deep brain stimulation parameters

doi: 10.1088/1741-2552/ab35b1

Figure Lengend Snippet: P1R - Visualization of VIM (green), ap and af mapped on Vc and IC (left colorbar in mV/mm2) and stimulation voltage mapped on lead contacts (right colorbar in V), respectively, for a) optimization result and b) monopolar stimulation with 2.5 V at C3.

Article Snippet: Furthermore, given that recent simulation studies have demonstrated the possible benefit of anodic stimulation ( Anderson, Duffley, Vorwerk, Dorval and Butson; 2019 ), the optimization algorithm should also be evaluated without being restricted to cathodic stimulation in both computational and patient studies.

Techniques: