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Computational Biology and Chemistry
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October 10, 2025
In silico strategies for discovering and analyzing new molecules based on isocycloseram: Virtual screening, docking, molecular dynamics, MM/PBSA, and GABA receptor interactions
Taináh M R Santos, Artur G Nogueira, Antônio P L Mesquita, et al.
Journal of Molecular Modeling
|
February 15, 2011
Analysis of Bacillus anthracis nucleoside hydrolase via in silico docking with inhibitors and molecular dynamics simulation
Ana P Guimarães, Aline A Oliveira, Elaine F F da Cunha, et al.
Journal of Biomolecular Structure & Dynamics
|
December 15, 2010
Design of new chemotherapeutics against the deadly anthrax disease. Docking and molecular dynamics studies of inhibitors containing pyrrolidine and riboamidrazone rings on nucleoside hydrolase from Bacillus anthracis
Ana P Guimarães, Aline A Oliveira, Elaine F F da Cunha, et al.
Journal of Chemical Technology and Biotechnology (Oxford, Oxfordshire : 1986)
|
October 2, 2018
Separation of immunoglobulin G using aqueous biphasic systems composed of cholinium-based ionic liquids and poly(propylene glycol)
Catarina C Ramalho, Catarina M S S Neves, Maria V Quental, et al.
Recent Patents on Inflammation & Allergy Drug Discovery
|
December 17, 2008
Targeting inhibition of COX-2: a review of patents, 2002-2006
Elaine F F da Cunha, Teodorico C Ramalho, Daniela Josa, et al.
Mini Reviews in Medicinal Chemistry
|
January 23, 2024
Enhanced Sampling in Molecular Dynamics Simulations: How Many MD Snapshots can be Needed to Reproduce the Biological Behavior?
Camila A Tavares, Taináh M R Santos, Mateus A Gonçalves, et al.
Molecules (Basel, Switzerland)
|
December 11, 2019
Future Therapeutic Perspectives into the Alzheimer's Disease Targeting the Oxidative Stress Hypothesis
Jéssika P Teixeira, Alexandre A de Castro, Flávia V Soares, et al.
Journal of Molecular Modeling
|
March 30, 2023
Evaluation of autophagy inhibition to combat cancer: (vanadium complex)-protein interactions, parameterization, and validation of a new force field
Taináh M R Santos, Camila A Tavares, Ander F Pereira, et al.
Biotechnology and Applied Biochemistry
|
May 19, 2020
Vanillic acid as phospholipase A<sub>2</sub> and proteases inhibitor: In vitro and computational analyses
Pedro H S Cesar, Marcus V Trento, Thais A Sales, et al.
Journal of Biomolecular Structure & Dynamics
|
September 8, 2020
Deciphering inhibitory activity of flavonoids against tau protein kinases: a coupled molecular docking and quantum chemical study
Hassan Rasouli, Seyed Mohammad Bagher Hosseini Ghazvini, Reza Yarani, et al.
Page
of 25
Search research articles
Search
Showing results (81-90 of 241) with videos related to
Sort By:
Page
of 25
Computational Biology and Chemistry
|
October 10, 2025
In silico strategies for discovering and analyzing new molecules based on isocycloseram: Virtual screening, docking, molecular dynamics, MM/PBSA, and GABA receptor interactions
Taináh M R Santos, Artur G Nogueira, Antônio P L Mesquita, et al.
Journal of Molecular Modeling
|
February 15, 2011
Analysis of Bacillus anthracis nucleoside hydrolase via in silico docking with inhibitors and molecular dynamics simulation
Ana P Guimarães, Aline A Oliveira, Elaine F F da Cunha, et al.
Journal of Biomolecular Structure & Dynamics
|
December 15, 2010
Design of new chemotherapeutics against the deadly anthrax disease. Docking and molecular dynamics studies of inhibitors containing pyrrolidine and riboamidrazone rings on nucleoside hydrolase from Bacillus anthracis
Ana P Guimarães, Aline A Oliveira, Elaine F F da Cunha, et al.
Journal of Chemical Technology and Biotechnology (Oxford, Oxfordshire : 1986)
|
October 2, 2018
Separation of immunoglobulin G using aqueous biphasic systems composed of cholinium-based ionic liquids and poly(propylene glycol)
Catarina C Ramalho, Catarina M S S Neves, Maria V Quental, et al.
Recent Patents on Inflammation & Allergy Drug Discovery
|
December 17, 2008
Targeting inhibition of COX-2: a review of patents, 2002-2006
Elaine F F da Cunha, Teodorico C Ramalho, Daniela Josa, et al.
Mini Reviews in Medicinal Chemistry
|
January 23, 2024
Enhanced Sampling in Molecular Dynamics Simulations: How Many MD Snapshots can be Needed to Reproduce the Biological Behavior?
Camila A Tavares, Taináh M R Santos, Mateus A Gonçalves, et al.
Molecules (Basel, Switzerland)
|
December 11, 2019
Future Therapeutic Perspectives into the Alzheimer's Disease Targeting the Oxidative Stress Hypothesis
Jéssika P Teixeira, Alexandre A de Castro, Flávia V Soares, et al.
Journal of Molecular Modeling
|
March 30, 2023
Evaluation of autophagy inhibition to combat cancer: (vanadium complex)-protein interactions, parameterization, and validation of a new force field
Taináh M R Santos, Camila A Tavares, Ander F Pereira, et al.
Biotechnology and Applied Biochemistry
|
May 19, 2020
Vanillic acid as phospholipase A<sub>2</sub> and proteases inhibitor: In vitro and computational analyses
Pedro H S Cesar, Marcus V Trento, Thais A Sales, et al.
Journal of Biomolecular Structure & Dynamics
|
September 8, 2020
Deciphering inhibitory activity of flavonoids against tau protein kinases: a coupled molecular docking and quantum chemical study
Hassan Rasouli, Seyed Mohammad Bagher Hosseini Ghazvini, Reza Yarani, et al.
Page
of 25