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Ian D Wall

Showing results (1-10 of 30) with videos related to

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Current Opinion in Pharmacology|December 18, 2009
Bioinformatics and molecular modelling approaches to GPCR oligomerizationLisa M Simpson, Bruck Taddese, Ian D Wall, et al.
Journal of Chemical Information and Modeling|January 8, 2020
Exploring Ligand Stability in Protein Crystal Structures Using Binding Pose MetadynamicsLucia Fusani, David S Palmer, Don O Somers, et al.
Journal of Chemical Theory and Computation|April 17, 2025
Active Learning FEP: Impact on Performance of AL Protocol and Chemical DiversityRichard Lonsdale, Jack Glancy, Leen Kalash, et al.
Proteins|February 22, 2011
Modeling GPCR active state conformations: the β(2)-adrenergic receptorLisa M Simpson, Ian D Wall, Frank E Blaney, et al.
Journal of Chemical Theory and Computation|May 19, 2022
Enhancing Ligand and Protein Sampling Using Sequential Monte CarloMiroslav Suruzhon, Michael S Bodnarchuk, Antonella Ciancetta, et al.
Methods in Enzymology|February 5, 2013
Modeling active GPCR conformationsBruck Taddese, Lisa M Simpson, Ian D Wall, et al.
Journal of Chemical Theory and Computation|February 3, 2021
Sensitivity of Binding Free Energy Calculations to Initial Protein Crystal StructureMiroslav Suruzhon, Michael S Bodnarchuk, Antonella Ciancetta, et al.
Acta Crystallographica. Section F, Structural Biology Communications|January 14, 2020
Cocktailed fragment screening by X-ray crystallography of the antibacterial target undecaprenyl pyrophosphate synthase from Acinetobacter baumanniiJames H Thorpe, Ian D Wall, Robert H Sinnamon, et al.
Journal of Chemical Information and Modeling|September 23, 2014
OOMMPPAA: a tool to aid directed synthesis by the combined analysis of activity and structural dataAnthony R Bradley, Ian D Wall, Darren V S Green, et al.
Acta Crystallographica. Section D, Structural Biology|March 15, 2017
WONKA and OOMMPPAA: analysis of protein-ligand interaction data to direct structure-based drug designCharlotte M Deane, Ian D Wall, Darren V S Green, et al.
Pageof 3

Showing results (1-10 of 30) with videos related to

Sort By:
Pageof 3
Current Opinion in Pharmacology|December 18, 2009
Bioinformatics and molecular modelling approaches to GPCR oligomerizationLisa M Simpson, Bruck Taddese, Ian D Wall, et al.
Journal of Chemical Information and Modeling|January 8, 2020
Exploring Ligand Stability in Protein Crystal Structures Using Binding Pose MetadynamicsLucia Fusani, David S Palmer, Don O Somers, et al.
Journal of Chemical Theory and Computation|April 17, 2025
Active Learning FEP: Impact on Performance of AL Protocol and Chemical DiversityRichard Lonsdale, Jack Glancy, Leen Kalash, et al.
Proteins|February 22, 2011
Modeling GPCR active state conformations: the β(2)-adrenergic receptorLisa M Simpson, Ian D Wall, Frank E Blaney, et al.
Journal of Chemical Theory and Computation|May 19, 2022
Enhancing Ligand and Protein Sampling Using Sequential Monte CarloMiroslav Suruzhon, Michael S Bodnarchuk, Antonella Ciancetta, et al.
Methods in Enzymology|February 5, 2013
Modeling active GPCR conformationsBruck Taddese, Lisa M Simpson, Ian D Wall, et al.
Journal of Chemical Theory and Computation|February 3, 2021
Sensitivity of Binding Free Energy Calculations to Initial Protein Crystal StructureMiroslav Suruzhon, Michael S Bodnarchuk, Antonella Ciancetta, et al.
Acta Crystallographica. Section F, Structural Biology Communications|January 14, 2020
Cocktailed fragment screening by X-ray crystallography of the antibacterial target undecaprenyl pyrophosphate synthase from Acinetobacter baumanniiJames H Thorpe, Ian D Wall, Robert H Sinnamon, et al.
Journal of Chemical Information and Modeling|September 23, 2014
OOMMPPAA: a tool to aid directed synthesis by the combined analysis of activity and structural dataAnthony R Bradley, Ian D Wall, Darren V S Green, et al.
Acta Crystallographica. Section D, Structural Biology|March 15, 2017
WONKA and OOMMPPAA: analysis of protein-ligand interaction data to direct structure-based drug designCharlotte M Deane, Ian D Wall, Darren V S Green, et al.
Pageof 3