The pKa‐cooperative aims to provide a forum for experimental and theoretical researchers
interested in protein pKa values and protein electrostatics in general. The first round of the …

Efficiency and accuracy are two major concerns in numerical solutions of the Poisson-
Boltzmann equation for applications in chemistry and biophysics. Recent developments in …

Although deep learning approaches have had tremendous success in image, video and
audio processing, computer vision, and speech recognition, their applications to three …

We report a method to generate de novo protein designs through a generative adversarial
neural network, MolShapeGAN, that can rapidly produce a large variety of nanoarchitected …

Cutting-Edge Techniques to Better Analyze and Predict Complex Physical Phenomena
Geometric Modeling and Mesh Generation from Scanned Images shows how to integrate …

We present a general, robust, and efficient ray-casting-based approach to triangulating
complex manifold surfaces arising in the nano-bioscience field. This feature is inserted in a …

Persistent homology has emerged as a popular technique for the topological simplification
of big data, including biomolecular data. Multidimensional persistence bears considerable …

We present a treecode-accelerated boundary integral (TABI) solver for electrostatics of
solvated biomolecules described by the linear Poisson–Boltzmann equation. The method …

Key points Using 3D direct stochastic optical reconstruction microscopy (dSTORM), we
developed novel approaches to quantitatively describe the nanoscale, 3D organization of …

Recent advances in electron microscopy have enabled the imaging of single cells in 3D at
nanometer length scale resolutions. An uncharted frontier for in silico biology is the ability to …