Revolutionizing medicinal chemistry: the application of artificial intelligence (AI) in early drug discovery
Artificial intelligence (AI) has permeated various sectors, including the pharmaceutical
industry and research, where it has been utilized to efficiently identify new chemical entities …
industry and research, where it has been utilized to efficiently identify new chemical entities …
RCSB Protein Data Bank (RCSB. org): delivery of experimentally-determined PDB structures alongside one million computed structure models of proteins from …
Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB
PDB), founding member of the Worldwide Protein Data Bank (wwPDB), is the US data center …
PDB), founding member of the Worldwide Protein Data Bank (wwPDB), is the US data center …
Advancing microbial production through artificial intelligence-aided biology
Microbial cell factories (MCFs) have been leveraged to construct sustainable platforms for
value-added compound production. To optimize metabolism and reach optimal productivity …
value-added compound production. To optimize metabolism and reach optimal productivity …
RCSB protein data bank: efficient searching and simultaneous access to one million computed structure models alongside the PDB structures enabled by architectural …
S Bittrich, C Bhikadiya, C Bi, H Chao, JM Duarte… - Journal of molecular …, 2023 - Elsevier
Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB
PDB) provides open access to experimentally-determined three-dimensional (3D) structures …
PDB) provides open access to experimentally-determined three-dimensional (3D) structures …
Unlocking de novo antibody design with generative artificial intelligence
A Shanehsazzadeh, S Bachas, M McPartlon, G Kasun… - bioRxiv, 2023 - biorxiv.org
Generative artificial intelligence (AI) has the potential to greatly increase the speed, quality
and controllability of antibody design. Traditional de novo antibody discovery requires time …
and controllability of antibody design. Traditional de novo antibody discovery requires time …
Electron microscopy holdings of the Protein Data Bank: the impact of the resolution revolution, new validation tools, and implications for the future
As a discipline, structural biology has been transformed by the three-dimensional electron
microscopy (3DEM)“Resolution Revolution” made possible by convergence of robust cryo …
microscopy (3DEM)“Resolution Revolution” made possible by convergence of robust cryo …
Hydrogen/deuterium exchange mass spectrometry: fundamentals, limitations, and opportunities
L Konermann, PM Scrosati - Molecular & Cellular Proteomics, 2024 - mcponline.org
Hydrogen/deuterium exchange mass spectrometry (HDX-MS) probes dynamic motions of
proteins by monitoring the kinetics of backbone amide deuteration. Dynamic regions exhibit …
proteins by monitoring the kinetics of backbone amide deuteration. Dynamic regions exhibit …
Local disordered region sampling (LDRS) for ensemble modeling of proteins with experimentally undetermined or low confidence prediction segments
Abstract Summary The Local Disordered Region Sampling (LDRS, pronounced loaders)
tool is a new module developed for IDPConformerGenerator, a previously validated …
tool is a new module developed for IDPConformerGenerator, a previously validated …
RCSB Protein Data bank: Tools for visualizing and understanding biological macromolecules in 3D
Now in its 52nd year of continuous operations, the Protein Data Bank (PDB) is the premiere
open‐access global archive housing three‐dimensional (3D) biomolecular structure data. It …
open‐access global archive housing three‐dimensional (3D) biomolecular structure data. It …
Assessment of sedative activity of fraxin: In vivo approach along with receptor binding affinity and molecular interaction with GABAergic system
Insomnia is a sleep disorder in which you have trouble falling and/or staying asleep. This
research aims to evaluate the sedative effects of fraxin (FX) on sleeping mice induced by …
research aims to evaluate the sedative effects of fraxin (FX) on sleeping mice induced by …