Modeling Charged Protein Side Chains in Lipid Membranes

Por Allen, Toby W.
Publicado em 2007

On the thermodynamic stability of a charged arginine side chain in a transmembrane helix

Por Dorairaj, Sudha, Allen, Toby W.
Publicado em 2007

On the selective ion binding hypothesis for potassium channels

Por Kim, Ilsoo, Allen, Toby W.
Publicado em 2011

Origins of ion selectivity in potassium channels from the perspective of channel block

Por Nimigean, Crina M., Allen, Toby W.
Publicado em 2011

Energetics of ion conduction through the gramicidin channel

Por Allen, Toby W., Andersen, Olaf S., Roux, Benoît
Publicado em 2004

Ion Permeation through a Narrow Channel: Using Gramicidin to Ascertain All-Atom Molecular Dynamics Potential of Mean Force Methodology and Biomolecular Force Fields

Por Allen, Toby W., Andersen, Olaf S., Roux, Benoit
Publicado em 2006

On the Importance of Atomic Fluctuations, Protein Flexibility, and Solvent in Ion Permeation

Por Allen, Toby W., Andersen, O.S., Roux, Benoit
Publicado em 2004

Comment on “Free energy simulations of single and double ion occupancy in gramicidin A” [J. Chem. Phys. 126, 105103 (2007)]

Por Roux, Benoît, Andersen, Olaf S., Allen, Toby W.
Publicado em 2008

Electrostatics of Deformable Lipid Membranes

Por Vorobyov, Igor, Bekker, Borislava, Allen, Toby W.
Publicado em 2010

Ion conduction and conformational flexibility of a bacterial voltage-gated sodium channel

Por Boiteux, Céline, Vorobyov, Igor, Allen, Toby W.
Publicado em 2014

Conducting-state properties of the KcsA potassium channel from molecular and Brownian dynamics simulations.

Por Chung, Shin-Ho, Allen, Toby W, Kuyucak, Serdar
Publicado em 2002

Modeling diverse range of potassium channels with Brownian dynamics.

Por Chung, Shin-Ho, Allen, Toby W, Kuyucak, Serdar
Publicado em 2002

Computational Models for Predictive Cardiac Ion Channel Pharmacology

Por Yarov-Yarovoy, Vladimir, Allen, Toby W., Clancy, Colleen E.
Publicado no Drug Discov Today Dis Models (2014)

Gramicidin A Channel as a Test Ground for Molecular Dynamics Force Fields

Por Allen, Toby W., Baştuğ, Turgut, Kuyucak, Serdar, Chung, Shin-Ho
Publicado em 2003

Is Arginine Charged in a Membrane?

Por Li, Libo, Vorobyov, Igor, MacKerell, Alexander D., Allen, Toby W.
Publicado em 2008

Reservoir boundaries in Brownian dynamics simulations of ion channels.

Por Corry, Ben, Hoyles, Matthew, Allen, Toby W, Walker, Michael, Kuyucak, Serdar, Chung, Shin-Ho
Publicado em 2002

Local anesthetic and antiepileptic drug access and binding to a bacterial voltage-gated sodium channel

Por Boiteux, Céline, Vorobyov, Igor, French, Robert J., French, Christopher, Yarov-Yarovoy, Vladimir, Allen, Toby W.
Publicado no Proc Natl Acad Sci U S A (2014)

Evidence for Leaflet-Dependent Redistribution of Charged Molecules in Fluid Supported Phospholipid Bilayers

Por Shreve, Andrew P., Howland, Michael C., Sapuri-Butti, Annapoorna R., Allen, Toby W., Parikh, Atul N.
Publicado em 2008

Ion-Induced Defect Permeation of Lipid Membranes

Por Vorobyov, Igor, Olson, Timothy E., Kim, Jung H., Koeppe, Roger E., Andersen, Olaf S., Allen, Toby W.
Publicado em 2014

String method solution of the gating pathways for a pentameric ligand-gated ion channel

Por Lev, Bogdan, Murail, Samuel, Poitevin, Frédéric, Cromer, Brett A., Baaden, Marc, Delarue, Marc, Allen, Toby W.
Publicado no Proc Natl Acad Sci U S A (2017)