Citation Impact
Citing Papers
Protein Ligand Database (PLD): additional understanding of the nature and specificity of protein–ligand complexes
2003
A comprehensive map of molecular drug targets
2016 Standout
DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs
2010 Standout
ChEMBL: a large-scale bioactivity database for drug discovery
2011 Standout
DrugBank 4.0: shedding new light on drug metabolism
2013 Standout
COVID-19: A promising cure for the global panic
2020 Standout
Utilising Structural Knowledge in Drug Design Strategies: Applications Using Relibase
2003
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
2006
PubChem Substance and Compound databases
2015 Standout
Prediction of C. elegans Longevity Genes by Human and Worm Longevity Networks
2012 StandoutNobel
Surflex-Dock: Docking benchmarks and real-world application
2012
Small-Molecule Library Screening by Docking with PyRx
2014 Standout
SwissParam: A fast force field generation tool for small organic molecules
2011 Standout
Mechanisms of drug combinations: interaction and network perspectives
2009 Standout
Relating protein pharmacology by ligand chemistry
2007 Standout
Enzyme classification by ligand binding
2004
A Model Binding Site for Testing Scoring Functions in Molecular Docking
2002
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
2009 Standout
Cataloging the Relationships Between Proteins: A Review of Interaction Databases
2006
Objective assessment of cancer genes for drug discovery
2012
CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge
2015 StandoutNobel
The PDBbind Database: Methodologies and Updates
2005
MoleculeNet: a benchmark for molecular machine learning
2017 Standout
A big data driven analytical framework for energy-intensive manufacturing industries
2018
Host−Guest Complexes with Protein−Ligand-like Affinities: Computational Analysis and Design
2009
Exploiting Structure–Activity Relationships in Docking
2008
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
2004 Standout
A comprehensive review of big data analytics throughout product lifecycle to support sustainable smart manufacturing: A framework, challenges and future research directions
2018 Standout
Molecular Docking and Structure-Based Drug Design Strategies
2015 Standout
Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
2012 Standout
Docking and scoring in virtual screening for drug discovery: methods and applications
2004 Standout
ZINC: A Free Tool to Discover Chemistry for Biology
2012 Standout
Extended-Connectivity Fingerprints
2010 Standout
Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes
2006 Standout
Force Field Optimization Guided by Small Molecule Crystal Lattice Data Enables Consistent Sub-Angstrom Protein–Ligand Docking
2021 StandoutNobel
Molecular Docking: Shifting Paradigms in Drug Discovery
2019 Standout
Computational Evolution of Threonine-Rich β-Hairpin Peptides Mimicking Specificity and Affinity of Antibodies
2019 StandoutNobel
Structure-based discovery of β 2 -adrenergic receptor ligands
2009 StandoutNobel
DOCKTITE—A Highly Versatile Step-by-Step Workflow for Covalent Docking and Virtual Screening in the Molecular Operating Environment
2014
An overview of advances in biomass gasification
2016 Standout
Recognizing Pitfalls in Virtual Screening: A Critical Review
2012
Modeling of hydrogen production process from biomass using oxygen blown gasification
2012
NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
2011 Standout
Additive manufacturing (3D printing): A review of materials, methods, applications and challenges
2018 Standout
Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology
2012 Standout
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
2004 Standout
The Role of AI, Machine Learning, and Big Data in Digital Twinning: A Systematic Literature Review, Challenges, and Opportunities
2021 Standout
Stereo vision-based repair of metallic components
2017
ZINC 15 – Ligand Discovery for Everyone
2015 Standout
Works of Xi Chen being referenced
The Binding Database: data management and interface design
2002
Simulation and optimization of cryogenic air separation units using a homotopy-based backtracking method
2009
Worn area modeling for automating the repair of turbine blades
2006
A variable selection method for soft sensor development through mixed integer quadratic programming
2017