Toby W Allen

发表

Simulating ion channel activation mechanisms using swarms of trajectories

Bogdan Lev, Toby W Allen, T. Allen, 2019, J. Comput. Chem..

Selective ion permeation involves complexation with carboxylates and lysine in a model human sodium channel

Toby W Allen, Emelie Flood, Céline Boiteux, 2018, PLoS Comput. Biol..

Estimation of Potentials of Mean Force from Nonequilibrium Pulling Simulations Using Both Minh-Adib Estimator and Weighted Histogram Analysis Method.

Toby W Allen, Van A Ngo, Ilsoo Kim, 2016, Journal of chemical theory and computation.

Computational Models for Predictive Cardiac Ion Channel Pharmacology.

Toby W Allen, Vladimir Yarov-Yarovoy, Colleen E Clancy, 2014, Drug discovery today. Disease models.

The Role of Atomic Polarization in the Thermodynamics of Chloroform Partitioning to Lipid Bilayers.

W F Drew Bennett, Toby W Allen, Igor Vorobyov, 2012, Journal of chemical theory and computation.

Assessing atomistic and coarse-grained force fields for protein-lipid interactions: the formidable challenge of an ionizable side chain in a membrane.

Toby W Allen, Igor Vorobyov, I. Vorobyov, 2008, The journal of physical chemistry. B.

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

Toby W Allen, T. Allen, S. Dorairaj, 2007, Proceedings of the National Academy of Sciences.

The role of tryptophan side chains in membrane protein anchoring and hydrophobic mismatch.

Toby W Allen, T. Allen, Armando J de Jesus, 2013, Biochimica et biophysica acta.

Ion-induced defect permeation of lipid membranes.

Toby W Allen, Igor Vorobyov, Olaf S Andersen, 2014, Biophysical journal.

Bennett's acceptance ratio and histogram analysis methods enhanced by umbrella sampling along a reaction coordinate in configurational space.

Toby W Allen, Ilsoo Kim, Ilsoo Kim, 2012, The Journal of chemical physics.

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

Toby W Allen, Igor Vorobyov, I. Vorobyov, 2014, Proceedings of the National Academy of Sciences.

Potential of mean force and pKa profile calculation for a lipid membrane-exposed arginine side chain.

Toby W Allen, Igor Vorobyov, I. Vorobyov, 2008, The journal of physical chemistry. B.

Gramicidin A channel as a test ground for molecular dynamics force fields.

Serdar Kuyucak, Toby W Allen, Shin-Ho Chung, 2003, Biophysical journal.

Molecular dynamics - potential of mean force calculations as a tool for understanding ion permeation and selectivity in narrow channels.

Toby W Allen, Benoit Roux, Olaf S Andersen, 2006, Biophysical chemistry.

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

Toby W Allen, Vladimir Yarov-Yarovoy, Igor Vorobyov, 2014, Proceedings of the National Academy of Sciences.