Abstract Machine learning methods, in particular convolutional neural networks, have been
applied to a variety of problems in cryo-EM and macromolecular crystallographic structure …

The discipline of structure-based drug design (SBDD) is several decades old and it is
tempting to think that the proliferation of experimental structures for many drug targets might …

When solving a structure of a protein from single-wavelength anomalous diffraction X-ray
data, the initial phases obtained by phasing from an anomalously scattering substructure …

Deep learning techniques can recognize complex patterns in noisy, multidimensional data.
In recent years, researchers have started to explore the potential of deep learning in the field …

With the growth of biological and chemical datasets and the development of novel
computational techniques, applications of artificial intelligence (AI) and machine learning …

In recent years, a convergence of scientific progress has allowed to identify specific
molecular targets and signaling routes for cancer cells, leading to more selective, more …

Productive collaboration between experimentalists and theorists has been a growing trend,
where establishing a proper computational description assists in solving many chemical …

類ごと (C, O, N, S) に座標を分割した. CNN の画像データの場合, 三原色 (青, 赤, 黄)
のチャネルがあり, 多彩な色を表現していることと同様の仕組みを利用できると考えたからである. 3 …