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Anthony Ivetac

Researcher at University of California, San Diego

Publications -  24
Citations -  1765

Anthony Ivetac is an academic researcher from University of California, San Diego. The author has contributed to research in topics: Chemistry & Medicine. The author has an hindex of 16, co-authored 17 publications receiving 1585 citations. Previous affiliations of Anthony Ivetac include University of Oxford.

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Coarse-grained molecular dynamics simulations of membrane proteins and peptides

TL;DR: The utility of CG-MD simulations for studies of membrane/protein interactions is demonstrated, including to the bacterial sugar transporter LacY and a number of membrane peptides and proteins used to characterize their interactions with lipid bilayers.
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Coarse-grained MD simulations of membrane protein-bilayer self-assembly.

TL;DR: A coarse-grained molecular dynamics approach to lipid bilayer self-assembly around membrane proteins is presented and it is demonstrated that this method can be used to predict accurately the protein position in the bilayer for membrane proteins with a range of different sizes and architectures.
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Mapping the druggable allosteric space of G-protein coupled receptors: a fragment-based molecular dynamics approach.

TL;DR: This work maps the surfaces of the β1 (β1AR) and β2 (β2AR) adrenergic receptor structures to detect a series of five potentially druggable allosteric sites and uses the FTMAP algorithm to identify ‘hot spots’ with affinity for a variety of organic probe molecules corresponding to drug fragments.
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Predictive power of molecular dynamics receptor structures in virtual screening.

TL;DR: A critical analysis of the predictive power of MD snapshots to blind virtual screening by docking is presented, evaluating two well-characterized systems of varying flexibility in ligand-bound and unbound configurations.