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Dynamics and Thermodynamics of Transthyretin Association from Molecular Dynamics Simulations

BioMed research international, 2018-01, Vol.2018 (2018), p.1-14

2018

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K+ and Na+ Conduction in Selective and Nonselective Ion Channels Via Molecular Dynamics Simulations

Biophysical journal, 2013-10, Vol.105 (8), p.1737-1745

2013

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Dynamics of a bacterial multidrug ABC transporter in the inward- and outward-facing conformations

Proceedings of the National Academy of Sciences - PNAS, 2012-07, Vol.109 (27), p.10832-10836

2012

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Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases

Nature communications, 2016-08, Vol.7 (1), p.12673-12673, Article 12673

2016

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Exploring the Dynamics of the TWIK-1 Channel

Biophysical journal, 2016-08, Vol.111 (4), p.775-784

2016

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Structural Basis for Binding of Hypoxia-Inducible Factor to the Oxygen-Sensing Prolyl Hydroxylases

Structure (London), 2009-07, Vol.17 (7), p.981-989

2009

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Ion-triggered selectivity in bacterial sodium channels

Proceedings of the National Academy of Sciences - PNAS, 2018-05, Vol.115 (21), p.5450-5455

2018

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Capturing the Molecular Mechanism of Anesthetic Action by Simulation Methods

Chemical reviews, 2019-05, Vol.119 (9), p.5998-6014

2019

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Selective Anticancer Therapy Based on a HA-CD44 Interaction Inhibitor Loaded on Polymeric Nanoparticles

Pharmaceutics, 2022-04, Vol.14 (4), p.788

2022

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Stereospecific Interactions of Cholesterol in a Model Cell Membrane: Implications for the Membrane Dipole Potential

The Journal of membrane biology, 2018-06, Vol.251 (3), p.507-519

2018

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Lipid-Protein Interactions of Integral Membrane Proteins: A Comparative Simulation Study

Biophysical journal, 2004-12, Vol.87 (6), p.3737-3749

2004

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DNA Recognition Process of the Lactose Repressor Protein Studied via Metadynamics and Umbrella Sampling Simulations

The journal of physical chemistry. B, 2014-11, Vol.118 (46), p.13059-13065

2014

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Nonselective Conduction in a Mutated NaK Channel with Three Cation-Binding Sites

Biophysical journal, 2012-11, Vol.103 (10), p.2106-2114

2012

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A Potential Route of Capsaicin to Its Binding Site in the TRPV1 Ion Channel

Journal of chemical information and modeling, 2022-05, Vol.62 (10), p.2481-2489

2022

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Insight from atomistic molecular dynamics simulations into the supramolecular assembly of the aldo-keto reductase from Trypanosoma cruzi

Journal of molecular modeling, 2024-10, Vol.30 (10), p.346, Article 346

2024

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Membrane Phase-Dependent Occlusion of Intramolecular GLUT1 Cavities Demonstrated by Simulations

Biophysical journal, 2017-03, Vol.112 (6), p.1176-1184

2017

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Interaction of Anesthetics with Open and Closed Conformations of a Potassium Channel Studied via Molecular Dynamics and Normal Mode Analysis

Biophysical journal, 2008-06, Vol.94 (11), p.4260-4269

2008

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Anionic Phospholipid Interactions with the Potassium Channel KcsA: Simulation Studies

Biophysical journal, 2006-02, Vol.90 (3), p.822-830

2006

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Model-Based Prediction of the [alpha]-Hemolysin Structure in the Hexameric State

Biophysical journal, 2008-09, Vol.95 (5), p.2265-2274

2008

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Role of Aromatic Localization in the Gating Process of a Potassium Channel

Biophysical journal, 2006-01, Vol.90 (1), p.L01-L03

2006

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KcsA closed and open: modelling and simulation studies

European biophysics journal, 2004-05, Vol.33 (3), p.238-246

2004

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Molecular dynamics Simulation approaches to K channels: conformational flexibility and physiological function

IEEE transactions on nanobioscience, 2005-03, Vol.4 (1), p.112-120

2005

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Dynamics and Thermodynamics of Transthyretin Association from Molecular Dynamics Simulations

K+ and Na+ Conduction in Selective and Nonselective Ion Channels Via Molecular Dynamics Simulations

Dynamics of a bacterial multidrug ABC transporter in the inward- and outward-facing conformations

Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases

Exploring the Dynamics of the TWIK-1 Channel

Structural Basis for Binding of Hypoxia-Inducible Factor to the Oxygen-Sensing Prolyl Hydroxylases

Ion-triggered selectivity in bacterial sodium channels

Capturing the Molecular Mechanism of Anesthetic Action by Simulation Methods

Selective Anticancer Therapy Based on a HA-CD44 Interaction Inhibitor Loaded on Polymeric Nanoparticles

Stereospecific Interactions of Cholesterol in a Model Cell Membrane: Implications for the Membrane Dipole Potential

Lipid-Protein Interactions of Integral Membrane Proteins: A Comparative Simulation Study

DNA Recognition Process of the Lactose Repressor Protein Studied via Metadynamics and Umbrella Sampling Simulations

Nonselective Conduction in a Mutated NaK Channel with Three Cation-Binding Sites

A Potential Route of Capsaicin to Its Binding Site in the TRPV1 Ion Channel

Insight from atomistic molecular dynamics simulations into the supramolecular assembly of the aldo-keto reductase from Trypanosoma cruzi

Membrane Phase-Dependent Occlusion of Intramolecular GLUT1 Cavities Demonstrated by Simulations

Interaction of Anesthetics with Open and Closed Conformations of a Potassium Channel Studied via Molecular Dynamics and Normal Mode Analysis

Anionic Phospholipid Interactions with the Potassium Channel KcsA: Simulation Studies

Model-Based Prediction of the [alpha]-Hemolysin Structure in the Hexameric State

Role of Aromatic Localization in the Gating Process of a Potassium Channel

KcsA closed and open: modelling and simulation studies

Molecular dynamics Simulation approaches to K channels: conformational flexibility and physiological function

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