Membrane active antimicrobial peptides: translating mechanistic insights to design

J Li, JJ Koh, S Liu, R Lakshminarayanan… - Frontiers in …, 2017 - frontiersin.org
Antimicrobial peptides (AMPs) are promising next generation antibiotics that hold great
potential for combating bacterial resistance. AMPs can be both bacteriostatic and …

Multiscale modeling of biomolecular systems: in serial and in parallel

GS Ayton, WG Noid, GA Voth - Current opinion in structural biology, 2007 - Elsevier
Considerable progress has been recently achieved in the multiscale modeling of complex
biological processes. Multiscale models have now investigated the structure and dynamics …

LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

AP Thompson, HM Aktulga, R Berger… - Computer Physics …, 2022 - Elsevier
Since the classical molecular dynamics simulator LAMMPS was released as an open source
code in 2004, it has become a widely-used tool for particle-based modeling of materials at …

[HTML][HTML] Fluid phase lipid areas and bilayer thicknesses of commonly used phosphatidylcholines as a function of temperature

N Kučerka, MP Nieh, J Katsaras - Biochimica et Biophysica Acta (BBA) …, 2011 - Elsevier
The structural parameters of fluid phase bilayers composed of phosphatidylcholines with
fully saturated, mixed, and branched fatty acid chains, at several temperatures, have been …

The MARTINI force field: coarse grained model for biomolecular simulations

SJ Marrink, HJ Risselada, S Yefimov… - The journal of …, 2007 - ACS Publications
We present an improved and extended version of our coarse grained lipid model. The new
version, coined the MARTINI force field, is parametrized in a systematic way, based on the …

[KNIHA][B] Coarse-graining of condensed phase and biomolecular systems

GA Voth - 2008 - taylorfrancis.com
Exploring recent developments in the field, Coarse-Graining of Condensed Phase and
Biomolecular Systems examines systematic ways of constructing coarse-grained …

Sculpting and fusing biomimetic vesicle networks using optical tweezers

G Bolognesi, MS Friddin, A Salehi-Reyhani… - Nature …, 2018 - nature.com
Constructing higher-order vesicle assemblies has discipline-spanning potential from
responsive soft-matter materials to artificial cell networks in synthetic biology. This potential …

Temperature dependence of structure, bending rigidity, and bilayer interactions of dioleoylphosphatidylcholine bilayers

J Pan, S Tristram-Nagle, N Kučerka, JF Nagle - Biophysical journal, 2008 - cell.com
X-ray diffuse scattering was measured from oriented stacks and unilamellar vesicles of
dioleoylphosphatidylcholine lipid bilayers to obtain the temperature dependence of the …

[HTML][HTML] Molecular structures of fluid phase phosphatidylglycerol bilayers as determined by small angle neutron and X-ray scattering

J Pan, FA Heberle, S Tristram-Nagle… - … et Biophysica Acta (BBA …, 2012 - Elsevier
We have determined the molecular structures of commonly used phosphatidylglycerols
(PGs) in the commonly accepted biologically relevant fluid phase. This was done by …

Electrostatics at the nanoscale

DA Walker, B Kowalczyk, MO de La Cruz… - Nanoscale, 2011 - pubs.rsc.org
Electrostatic forces are amongst the most versatile interactions to mediate the assembly of
nanostructured materials. Depending on experimental conditions, these forces can be long …