The transformational role of GPU computing and deep learning in drug discovery
Deep learning has disrupted nearly every field of research, including those of direct
importance to drug discovery, such as medicinal chemistry and pharmacology. This …
importance to drug discovery, such as medicinal chemistry and pharmacology. This …
Cryo-EM in drug discovery: achievements, limitations and prospects
JP Renaud, A Chari, C Ciferri, W Liu… - Nature reviews Drug …, 2018 - nature.com
Cryo-electron microscopy (cryo-EM) of non-crystalline single particles is a biophysical
technique that can be used to determine the structure of biological macromolecules and …
technique that can be used to determine the structure of biological macromolecules and …
cryoSPARC: algorithms for rapid unsupervised cryo-EM structure determination
Single-particle electron cryomicroscopy (cryo-EM) is a powerful method for determining the
structures of biological macromolecules. With automated microscopes, cryo-EM data can …
structures of biological macromolecules. With automated microscopes, cryo-EM data can …
AI is a viable alternative to high throughput screening: a 318-target study
Scientific reports, 2024 - nature.com
High throughput screening (HTS) is routinely used to identify bioactive small molecules. This
requires physical compounds, which limits coverage of accessible chemical space …
requires physical compounds, which limits coverage of accessible chemical space …
[HTML][HTML] Breaking cryo-EM resolution barriers to facilitate drug discovery
Recent advances in single-particle cryoelecton microscopy (cryo-EM) are enabling
generation of numerous near-atomic resolution structures for well-ordered protein …
generation of numerous near-atomic resolution structures for well-ordered protein …
Substrate processing by the Cdc48 ATPase complex is initiated by ubiquitin unfolding
INTRODUCTION Many cellular proteins are polyubiquitinated but cannot be directly
degraded by the proteasome because they are well folded, associated with binding …
degraded by the proteasome because they are well folded, associated with binding …
Unravelling biological macromolecules with cryo-electron microscopy
Abstract Knowledge of the three-dimensional structures of proteins and other biological
macromolecules often aids understanding of how they perform complicated tasks in the cell …
macromolecules often aids understanding of how they perform complicated tasks in the cell …
Mechanistic insights into ER-associated protein degradation
X Wu, TA Rapoport - Current opinion in cell biology, 2018 - Elsevier
Misfolded proteins of the endoplasmic reticulum (ER) are discarded by a conserved process,
called ER-associated protein degradation (ERAD). ERAD substrates are retro-translocated …
called ER-associated protein degradation (ERAD). ERAD substrates are retro-translocated …
VCP/p97-mediated unfolding as a principle in protein homeostasis and signaling
J van den Boom, H Meyer - Molecular cell, 2018 - cell.com
The AAA+-type ATPase p97 governs an ever-expanding number of cellular processes
reaching from degradation of damaged proteins and organelles to key signaling events and …
reaching from degradation of damaged proteins and organelles to key signaling events and …
Molecular mechanism of substrate processing by the Cdc48 ATPase complex
NO Bodnar, TA Rapoport - Cell, 2017 - cell.com
Summary The Cdc48 ATPase and its cofactors Ufd1/Npl4 (UN) extract polyubiquitinated
proteins from membranes or macromolecular complexes, but how they perform these …
proteins from membranes or macromolecular complexes, but how they perform these …