Generative machine learning for de novo drug discovery: A systematic review
DD Martinelli - Computers in Biology and Medicine, 2022 - Elsevier
Recent research on artificial intelligence indicates that machine learning algorithms can
auto-generate novel drug-like molecules. Generative models have revolutionized de novo …
auto-generate novel drug-like molecules. Generative models have revolutionized de novo …
The miRNA: a small but powerful RNA for COVID-19
Abstract Coronavirus disease 2019 (COVID-19) caused by severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) is a severe and rapidly evolving epidemic. Now …
syndrome coronavirus 2 (SARS-CoV-2) is a severe and rapidly evolving epidemic. Now …
Therapeutic target database update 2022: facilitating drug discovery with enriched comparative data of targeted agents
Drug discovery relies on the knowledge of not only drugs and targets, but also the
comparative agents and targets. These include poor binders and non-binders for developing …
comparative agents and targets. These include poor binders and non-binders for developing …
TheMarker: a comprehensive database of therapeutic biomarkers
Y Zhang, Y Zhou, Y Zhou, X Yu, X Shen… - Nucleic Acids …, 2024 - academic.oup.com
Distinct from the traditional diagnostic/prognostic biomarker (adopted as the indicator of
disease state/process), the therapeutic biomarker (ThMAR) has emerged to be very crucial …
disease state/process), the therapeutic biomarker (ThMAR) has emerged to be very crucial …
Therapeutic target database 2020: enriched resource for facilitating research and early development of targeted therapeutics
Abstract Knowledge of therapeutic targets and early drug candidates is useful for improved
drug discovery. In particular, information about target regulators and the patented …
drug discovery. In particular, information about target regulators and the patented …
DrugMAP: molecular atlas and pharma-information of all drugs
The efficacy and safety of drugs are widely known to be determined by their interactions with
multiple molecules of pharmacological importance, and it is therefore essential to …
multiple molecules of pharmacological importance, and it is therefore essential to …
Decoding the identification mechanism of an SAM-III Riboswitch on ligands through multiple independent Gaussian-accelerated molecular dynamics simulations
J Chen, Q Zeng, W Wang, H Sun… - Journal of Chemical …, 2022 - ACS Publications
S-Adenosyl-l-methionine (SAM)-responsive riboswitches play a central role in the regulation
of bacterial gene expression at the level of transcription attenuation or translation inhibition …
of bacterial gene expression at the level of transcription attenuation or translation inhibition …
POSREG: proteomic signature discovered by simultaneously optimizing its reproducibility and generalizability
Mass spectrometry-based proteomic technique has become indispensable in current
exploration of complex and dynamic biological processes. Instrument development has …
exploration of complex and dynamic biological processes. Instrument development has …
ADCdb: the database of antibody–drug conjugates
L Shen, X Sun, Z Chen, Y Guo, Z Shen… - Nucleic Acids …, 2024 - academic.oup.com
Antibody-drug conjugates (ADCs) are a class of innovative biopharmaceutical drugs, which,
via their antibody (mAb) component, deliver and release their potent warhead (aka. payload) …
via their antibody (mAb) component, deliver and release their potent warhead (aka. payload) …
DRESIS: the first comprehensive landscape of drug resistance information
X Sun, Y Zhang, H Li, Y Zhou, S Shi… - Nucleic acids …, 2023 - academic.oup.com
Widespread drug resistance has become the key issue in global healthcare. Extensive
efforts have been made to reveal not only diverse diseases experiencing drug resistance …
efforts have been made to reveal not only diverse diseases experiencing drug resistance …