Computational analysis of local membrane properties

Free energy of WALP23 dimer association in DMPC, DPPC, and DOPC bilayers

(2013) Norberto Castillo et al.   CHEMISTRY AND PHYSICS OF LIPIDS

How the amyloid-β peptide and membranes affect each other: An extensive simulation study

(2012) Chetan Poojari et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Design of Peptide-Membrane Interactions to Modulate Single-File Water Transport through Modified Gramicidin Channels

(2012) Guillem Portella et al.   BIOPHYSICAL JOURNAL

Molecular Dynamics Simulation of HIV Fusion Inhibitor T-1249: Insights on Peptide-Lipid Interaction

(2012) A. M. T. Martins do Canto et al.   Computational and Mathematical Methods in Medicine

Multi-Scale Simulation of the Simian Immunodeficiency Virus Fusion Peptide

(2012) Jean-Marc Crowet et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Large Influence of Cholesterol on Solute Partitioning into Lipid Membranes

(2012) Christian L. Wennberg et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Line-Tension Controlled Mechanism for Influenza Fusion

(2012) Herre Jelger Risselada et al.   PLoS One

Molecular dynamics simulations of T-20 HIV fusion inhibitor interacting with model membranes

(2011) A.M.T. Martins do Canto et al.   BIOPHYSICAL CHEMISTRY

Determination of Electron Density Profiles and Area from Simulations of Undulating Membranes

(2011) Anthony R. Braun et al.   BIOPHYSICAL JOURNAL

Analysis of lipid surface area in protein-membrane systems combining voronoi tessellation and monte carlo integration methods

(2011) Takaharu Mori et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

(2011) Naveen Michaud-Agrawal et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Effects of cholesterol on pore formation in lipid bilayers induced by human islet amyloid polypeptide fragments: A coarse-grained molecular dynamics study

(2011) Weixin Xu et al.   PHYSICAL REVIEW E

Functional dynamics in the voltage-dependent anion channel

(2010) S. Villinger et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Perturbation of membranes by the amyloid β-peptide - a molecular dynamics study

(2009) Justin A. Lemkul et al.   FEBS Journal

Emerging roles for lipids in shaping membrane-protein function

(2009) Rob Phillips et al.   NATURE

Protein modulation of lipids, and vice-versa, in membranes

(2008) Derek Marsh   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Ordering effects of cholesterol and its analogues

(2008) Tomasz Róg et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

GridMAT-MD: A grid-based membrane analysis tool for use with molecular dynamics

(2008) William J. Allen et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The crystal structure of mouse VDAC1 at 2.3 A resolution reveals mechanistic insights into metabolite gating

(2008) R. Ujwal et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The molecular face of lipid rafts in model membranes

(2008) H. J. Risselada et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA