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Plos One
|
April 30, 2015
Improving the oxidative stability of a high redox potential fungal peroxidase by rational design
Verónica Sáez-Jiménez, Sandra Acebes, Victor Guallar, et al.
Biochemistry
|
July 28, 2012
Role of active site histidines in the two half-reactions of the aryl-alcohol oxidase catalytic cycle
Aitor Hernández-Ortega, Fátima Lucas, Patricia Ferreira, et al.
The Journal of Biological Chemistry
|
September 24, 2011
Modulating O2 reactivity in a fungal flavoenzyme: involvement of aryl-alcohol oxidase Phe-501 contiguous to catalytic histidine
Aitor Hernández-Ortega, Fátima Lucas, Patricia Ferreira, et al.
Chemical Physics Letters
|
December 28, 2021
Investigation of small molecule inhibitors of the SARS-CoV-2 papain-like protease by all-atom microsecond modelling, PELE Monte Carlo simulations, and <i>in vitro</i> activity inhibition
Julia J Liang, Eleni Pitsillou, Katherine Ververis, et al.
Plos One
|
March 6, 2013
Molecular interactions of prodiginines with the BH3 domain of anti-apoptotic Bcl-2 family members
Ali Hosseini, Margarita Espona-Fiedler, Vanessa Soto-Cerrato, et al.
Protein Science : a Publication of the Protein Society
|
February 12, 2026
A la carte bioprospecting of substrate-selective laccases via high-throughput computational enzyme-substrate interaction profiling
Ruite Xiang, Helena Balfagon Campos, Arnau Bassegoda, et al.
Journal of Chemical Information and Modeling
|
March 9, 2023
Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures
Anna M Díaz-Rovira, Helena Martín, Thijs Beuming, et al.
Journal of Chemical Information and Modeling
|
November 12, 2025
How Feasible Is Docking of PROTACs to POI-E3L Complexes? Testing Physics-Based and ML-Based Docking Tools
Roberto Jiménez-Boi, Raúl Miñán, Chiara Pallara, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2015
Insights into Laccase Engineering from Molecular Simulations: Toward a Binding-Focused Strategy
Emanuele Monza, M Fatima Lucas, Susana Camarero, et al.
Journal of Chemical Information and Modeling
|
September 13, 2022
Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy Calculations? Application of FEP+ to AlphaFold2-Predicted Structures
Thijs Beuming, Helena Martín, Anna M Díaz-Rovira, et al.
Page
of 15
Search research articles
Search
Showing results (71-80 of 141) with videos related to
Sort By:
Page
of 15
Plos One
|
April 30, 2015
Improving the oxidative stability of a high redox potential fungal peroxidase by rational design
Verónica Sáez-Jiménez, Sandra Acebes, Victor Guallar, et al.
Biochemistry
|
July 28, 2012
Role of active site histidines in the two half-reactions of the aryl-alcohol oxidase catalytic cycle
Aitor Hernández-Ortega, Fátima Lucas, Patricia Ferreira, et al.
The Journal of Biological Chemistry
|
September 24, 2011
Modulating O2 reactivity in a fungal flavoenzyme: involvement of aryl-alcohol oxidase Phe-501 contiguous to catalytic histidine
Aitor Hernández-Ortega, Fátima Lucas, Patricia Ferreira, et al.
Chemical Physics Letters
|
December 28, 2021
Investigation of small molecule inhibitors of the SARS-CoV-2 papain-like protease by all-atom microsecond modelling, PELE Monte Carlo simulations, and <i>in vitro</i> activity inhibition
Julia J Liang, Eleni Pitsillou, Katherine Ververis, et al.
Plos One
|
March 6, 2013
Molecular interactions of prodiginines with the BH3 domain of anti-apoptotic Bcl-2 family members
Ali Hosseini, Margarita Espona-Fiedler, Vanessa Soto-Cerrato, et al.
Protein Science : a Publication of the Protein Society
|
February 12, 2026
A la carte bioprospecting of substrate-selective laccases via high-throughput computational enzyme-substrate interaction profiling
Ruite Xiang, Helena Balfagon Campos, Arnau Bassegoda, et al.
Journal of Chemical Information and Modeling
|
March 9, 2023
Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures
Anna M Díaz-Rovira, Helena Martín, Thijs Beuming, et al.
Journal of Chemical Information and Modeling
|
November 12, 2025
How Feasible Is Docking of PROTACs to POI-E3L Complexes? Testing Physics-Based and ML-Based Docking Tools
Roberto Jiménez-Boi, Raúl Miñán, Chiara Pallara, et al.
The Journal of Physical Chemistry Letters
|
August 12, 2015
Insights into Laccase Engineering from Molecular Simulations: Toward a Binding-Focused Strategy
Emanuele Monza, M Fatima Lucas, Susana Camarero, et al.
Journal of Chemical Information and Modeling
|
September 13, 2022
Are Deep Learning Structural Models Sufficiently Accurate for Free-Energy Calculations? Application of FEP+ to AlphaFold2-Predicted Structures
Thijs Beuming, Helena Martín, Anna M Díaz-Rovira, et al.
Page
of 15