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ACS Chemical Biology
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February 23, 2016
Application of an Integrated GPCR SAR-Modeling Platform To Explain the Activation Selectivity of Human 5-HT2C over 5-HT2B
Alexander Heifetz, R Ian Storer, Gordon McMurray, et al.
Journal of Chemical Information and Modeling
|
December 8, 2015
The Fragment Molecular Orbital Method Reveals New Insight into the Chemical Nature of GPCR-Ligand Interactions
Alexander Heifetz, Ewa I Chudyk, Laura Gleave, et al.
Journal of Chemical Information and Modeling
|
September 16, 2022
Roughness of Molecular Property Landscapes and Its Impact on Modellability
Matteo Aldeghi, David E Graff, Nathan Frey, et al.
Current Opinion in Structural Biology
|
April 26, 2019
Characterising GPCR-ligand interactions using a fragment molecular orbital-based approach
Alexander Heifetz, Tim James, Michelle Southey, et al.
Expert Opinion on Drug Discovery
|
June 15, 2021
Assigning confidence to molecular property prediction
AkshatKumar Nigam, Robert Pollice, Matthew F D Hurley, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
December 1, 2017
Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method
Ewa I Chudyk, Laurie Sarrat, Matteo Aldeghi, et al.
Journal of Chemical Theory and Computation
|
February 26, 2020
Characterizing Interhelical Interactions of G-Protein Coupled Receptors with the Fragment Molecular Orbital Method
Alexander Heifetz, Inaki Morao, M Madan Babu, et al.
Journal of Medicinal Chemistry
|
March 8, 2016
Fragment Molecular Orbital Method Applied to Lead Optimization of Novel Interleukin-2 Inducible T-Cell Kinase (ITK) Inhibitors
Alexander Heifetz, Giancarlo Trani, Matteo Aldeghi, et al.
Science Advances
|
July 30, 2025
Machine learning-assisted exploration of multidrug-drug administration regimens for organoid arrays
Ilya Yakavets, Sina Kheiri, Jennifer Cruickshank, et al.
Accounts of Chemical Research
|
February 2, 2021
Data-Driven Strategies for Accelerated Materials Design
Robert Pollice, Gabriel Dos Passos Gomes, Matteo Aldeghi, et al.
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of 4
Search research articles
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Showing results (21-30 of 37) with videos related to
Sort By:
Page
of 4
ACS Chemical Biology
|
February 23, 2016
Application of an Integrated GPCR SAR-Modeling Platform To Explain the Activation Selectivity of Human 5-HT2C over 5-HT2B
Alexander Heifetz, R Ian Storer, Gordon McMurray, et al.
Journal of Chemical Information and Modeling
|
December 8, 2015
The Fragment Molecular Orbital Method Reveals New Insight into the Chemical Nature of GPCR-Ligand Interactions
Alexander Heifetz, Ewa I Chudyk, Laura Gleave, et al.
Journal of Chemical Information and Modeling
|
September 16, 2022
Roughness of Molecular Property Landscapes and Its Impact on Modellability
Matteo Aldeghi, David E Graff, Nathan Frey, et al.
Current Opinion in Structural Biology
|
April 26, 2019
Characterising GPCR-ligand interactions using a fragment molecular orbital-based approach
Alexander Heifetz, Tim James, Michelle Southey, et al.
Expert Opinion on Drug Discovery
|
June 15, 2021
Assigning confidence to molecular property prediction
AkshatKumar Nigam, Robert Pollice, Matthew F D Hurley, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
December 1, 2017
Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method
Ewa I Chudyk, Laurie Sarrat, Matteo Aldeghi, et al.
Journal of Chemical Theory and Computation
|
February 26, 2020
Characterizing Interhelical Interactions of G-Protein Coupled Receptors with the Fragment Molecular Orbital Method
Alexander Heifetz, Inaki Morao, M Madan Babu, et al.
Journal of Medicinal Chemistry
|
March 8, 2016
Fragment Molecular Orbital Method Applied to Lead Optimization of Novel Interleukin-2 Inducible T-Cell Kinase (ITK) Inhibitors
Alexander Heifetz, Giancarlo Trani, Matteo Aldeghi, et al.
Science Advances
|
July 30, 2025
Machine learning-assisted exploration of multidrug-drug administration regimens for organoid arrays
Ilya Yakavets, Sina Kheiri, Jennifer Cruickshank, et al.
Accounts of Chemical Research
|
February 2, 2021
Data-Driven Strategies for Accelerated Materials Design
Robert Pollice, Gabriel Dos Passos Gomes, Matteo Aldeghi, et al.
Page
of 4