Zwitterionic biomaterials
The term “zwitterionic polymers” refers to polymers that bear a pair of oppositely charged
groups in their repeating units. When these oppositely charged groups are equally …
groups in their repeating units. When these oppositely charged groups are equally …
Fluids and electrolytes under confinement in single-digit nanopores
Confined fluids and electrolyte solutions in nanopores exhibit rich and surprising physics
and chemistry that impact the mass transport and energy efficiency in many important …
and chemistry that impact the mass transport and energy efficiency in many important …
AI-based structure prediction empowers integrative structural analysis of human nuclear pores
S Mosalaganti, A Obarska-Kosinska, M Siggel… - Science, 2022 - science.org
INTRODUCTION The eukaryotic nucleus protects the genome and is enclosed by the two
membranes of the nuclear envelope. Nuclear pore complexes (NPCs) perforate the nuclear …
membranes of the nuclear envelope. Nuclear pore complexes (NPCs) perforate the nuclear …
Martini 3: a general purpose force field for coarse-grained molecular dynamics
The coarse-grained Martini force field is widely used in biomolecular simulations. Here we
present the refined model, Martini 3 (http://cgmartini. nl), with an improved interaction …
present the refined model, Martini 3 (http://cgmartini. nl), with an improved interaction …
Two decades of Martini: Better beads, broader scope
The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …
been around for nearly two decades. Originally developed for lipid‐based systems by the …
Accelerating the prediction and discovery of peptide hydrogels with human-in-the-loop
The amino acid sequences of peptides determine their self-assembling properties. Accurate
prediction of peptidic hydrogel formation, however, remains a challenging task. This work …
prediction of peptidic hydrogel formation, however, remains a challenging task. This work …
Machine-guided path sampling to discover mechanisms of molecular self-organization
Molecular self-organization driven by concerted many-body interactions produces the
ordered structures that define both inanimate and living matter. Here we present an …
ordered structures that define both inanimate and living matter. Here we present an …
[HTML][HTML] Advances in protein structure prediction and design
The prediction of protein three-dimensional structure from amino acid sequence has been a
grand challenge problem in computational biophysics for decades, owing to its intrinsic …
grand challenge problem in computational biophysics for decades, owing to its intrinsic …
Machine learning overcomes human bias in the discovery of self-assembling peptides
Peptide materials have a wide array of functions, from tissue engineering and surface
coatings to catalysis and sensing. Tuning the sequence of amino acids that comprise the …
coatings to catalysis and sensing. Tuning the sequence of amino acids that comprise the …
Structures of the TMC-1 complex illuminate mechanosensory transduction
H Jeong, S Clark, A Goehring… - Nature, 2022 - nature.com
The initial step in the sensory transduction pathway underpinning hearing and balance in
mammals involves the conversion of force into the gating of a mechanosensory transduction …
mammals involves the conversion of force into the gating of a mechanosensory transduction …