material studio 2019 ms software simulation package Search Results


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
https://www.bioz.com/product/material+studio+2019+ms+software+simulation+package/pmc08335563-211-5-15?v=Thermo+Fisher
Average 94 stars, based on 1 article reviews
lamivudine against covid 19 in silico - by Bioz Stars, 2026-07
94/100 stars
  Buy from Supplier

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/product/material+studio+2019+ms+software+simulation+package/pmc07759010-538-12-17?v=Vorwerk+Elektrowerke+GmbH+Co+KG
Average 90 stars, based on 1 article reviews
anodic stimulation - by Bioz Stars, 2026-07
90/100 stars
  Buy from Supplier

99
Gilead Sciences translocation simulation
2.7. Empirical determination of the sensitivity threshold α
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/product/material+studio+2019+ms+software+simulation+package/10__1039_slash_d0cp05948j-164-47-56?v=Gilead+Sciences
Average 99 stars, based on 1 article reviews
translocation simulation - by Bioz Stars, 2026-07
99/100 stars
  Buy from Supplier

90
ANSYS inc fluent version-2019 r2
2.7. Empirical determination of the sensitivity threshold α
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/product/material+studio+2019+ms+software+simulation+package/pm37587764-94-8-12?v=ANSYS+inc
Average 90 stars, based on 1 article reviews
fluent version-2019 r2 - by Bioz Stars, 2026-07
90/100 stars
  Buy from Supplier

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
https://www.bioz.com/product/material+studio+2019+ms+software+simulation+package/pmc09123465-258-1-4?v=Autodesk+Inc
Average 86 stars, based on 1 article reviews
transient cfd simulation - by Bioz Stars, 2026-07
86/100 stars
  Buy from Supplier

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
https://www.bioz.com/product/material+studio+2019+ms+software+simulation+package/pmc12620145-18-6-11?v=Dassault+Systemes
Average 86 stars, based on 1 article reviews
cst microwave studio - by Bioz Stars, 2026-07
86/100 stars
  Buy from Supplier

86
Molecular Dynamics Inc gromacs 2019 6 software
2.7. Empirical determination of the sensitivity threshold α
Gromacs 2019 6 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
https://www.bioz.com/product/material+studio+2019+ms+software+simulation+package/10__1016_slash_j__lwt__2025__118518-105-6-0?v=Molecular+Dynamics+Inc
Average 86 stars, based on 1 article reviews
gromacs 2019 6 software - by Bioz Stars, 2026-07
86/100 stars
  Buy from Supplier

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
https://www.bioz.com/product/material+studio+2019+ms+software+simulation+package/pmc09287448-199-17-19?v=Tradewinds+Inc
Average 90 stars, based on 1 article reviews
tradewinds exercise 2019 - by Bioz Stars, 2026-07
90/100 stars
  Buy from Supplier

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
https://www.bioz.com/product/material+studio+2019+ms+software+simulation+package/pmc07557177-82-12-14?v=ANSYS+inc
Average 90 stars, based on 1 article reviews
commercial cfd solver ansys fluent release 2019 r3 - by Bioz Stars, 2026-07
90/100 stars
  Buy from Supplier

96
MathWorks Inc reservoir simulation toolbox mrst
2.7. Empirical determination of the sensitivity threshold α
Reservoir Simulation Toolbox Mrst, supplied by MathWorks 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/product/material+studio+2019+ms+software+simulation+package/10__46690_slash_ager__2024__10__06-9-2-1?v=MathWorks+Inc
Average 96 stars, based on 1 article reviews
reservoir simulation toolbox mrst - by Bioz Stars, 2026-07
96/100 stars
  Buy from Supplier

86
Hirschmann illustristng100 simulation suite
2.7. Empirical determination of the sensitivity threshold α
Illustristng100 Simulation Suite, supplied by Hirschmann, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/material+studio+2019+ms+software+simulation+package/10__1051_slash_0004___6361_slash_202347133-290-27-8?v=Hirschmann
Average 86 stars, based on 1 article reviews
illustristng100 simulation suite - by Bioz Stars, 2026-07
86/100 stars
  Buy from Supplier

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
https://www.bioz.com/product/material+studio+2019+ms+software+simulation+package/10__56499_slash_jppres24__2216_13__s1__83-93-15-0?v=Molecular+Dynamics+Inc
Average 86 stars, based on 1 article reviews
desmond software - by Bioz Stars, 2026-07
86/100 stars
  Buy from Supplier

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: