CovPDB: a high-resolution coverage of the covalent protein–ligand interactome

AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-β-lactamases and indoleamine/tryptophan 2,3-dioxygenases

(2021) Qingqing Dai et al.   Acta Pharmaceutica Sinica B

Mol* Viewer: modern web app for 3D visualization and analysis of large biomolecular structures

(2021) David Sehnal et al.   NUCLEIC ACIDS RESEARCH

Remdesivir: A Review of Its Discovery and Development Leading to Emergency Use Authorization for Treatment of COVID-19

(2020) Richard T. Eastman et al.   ACS Central Science

StreptomeDB 3.0: an updated compendium of streptomycetes natural products

(2020) Aurélien F A Moumbock et al.   NUCLEIC ACIDS RESEARCH

CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors

(2020) Hongyan Du et al.   NUCLEIC ACIDS RESEARCH

UniProt: the universal protein knowledgebase in 2021

(2020) et al.   NUCLEIC ACIDS RESEARCH

DUckCov: a Dynamic Undocking‐Based Virtual Screening Protocol for Covalent Binders

(2019) Moira Rachman et al.   ChemMedChem

Rapid covalent-probe discovery by electrophile-fragment screening

(2019) Efrat Resnick et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure-based design of targeted covalent inhibitors

(2018) Richard Lonsdale et al.   CHEMICAL SOCIETY REVIEWS

Phenylthiomethyl Ketone-Based Fragments Show Selective and Irreversible Inhibition of Enteroviral 3C Proteases

(2018) Robert Schulz et al.   JOURNAL OF MEDICINAL CHEMISTRY

ChEMBL: towards direct deposition of bioassay data

(2018) David Mendez et al.   NUCLEIC ACIDS RESEARCH

Covalent inhibitors design and discovery

(2017) Stephane De Cesco et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

DrugBank 5.0: a major update to the DrugBank database for 2018

(2017) David S Wishart et al.   NUCLEIC ACIDS RESEARCH

Cysteinome: The first comprehensive database for proteins with targetable cysteine and their covalent inhibitors

(2016) Sijin Wu et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Interactive and Versatile Navigation of Structural Databases

(2016) Oliver Korb et al.   JOURNAL OF MEDICINAL CHEMISTRY

Covalent inhibitors in drug discovery: from accidental discoveries to avoided liabilities and designed therapies

(2015) Renato A. Bauer   DRUG DISCOVERY TODAY

DOCKTITE—A Highly Versatile Step-by-Step Workflow for Covalent Docking and Virtual Screening in the Molecular Operating Environment

(2015) Christoph Scholz et al.   Journal of Chemical Information and Modeling

Covalent docking using autodock: Two-point attractor and flexible side chain methods

(2015) Giulia Bianco et al.   PROTEIN SCIENCE

Docking Covalent Inhibitors: A Parameter Free Approach To Pose Prediction and Scoring

(2014) Kai Zhu et al.   Journal of Chemical Information and Modeling

Covalent docking of large libraries for the discovery of chemical probes

(2014) Nir London et al.   Nature Chemical Biology

Gene: a gene-centered information resource at NCBI

(2014) Garth R. Brown et al.   NUCLEIC ACIDS RESEARCH

CovalentDock: Automated covalent docking with parameterized covalent linkage energy estimation and molecular geometry constraints

(2012) Xuchang Ouyang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

BioLiP: a semi-manually curated database for biologically relevant ligand–protein interactions

(2012) Jianyi Yang et al.   NUCLEIC ACIDS RESEARCH

Structural Alert/Reactive Metabolite Concept as Applied in Medicinal Chemistry to Mitigate the Risk of Idiosyncratic Drug Toxicity: A Perspective Based on the Critical Examination of Trends in the Top 200 Drugs Marketed in the United States

(2011) Antonia F. Stepan et al.   CHEMICAL RESEARCH IN TOXICOLOGY

PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions

(2011) Mats H. M. Olsson et al.   Journal of Chemical Theory and Computation

The resurgence of covalent drugs

(2011) Juswinder Singh et al.   NATURE REVIEWS DRUG DISCOVERY

BLAST+: architecture and applications

(2009) Christiam Camacho et al.   BMC BIOINFORMATICS