Citation Impact
Citing Papers
Characterizing and explaining the impact of disease-associated mutations in proteins without known structures or structural homologs
2022 StandoutNobel
Carotenoids: biochemistry, pharmacology and treatment
2016 Standout
Curcumin, the golden nutraceutical: multitargeting for multiple chronic diseases
2016 Standout
The LOTUS initiative for open knowledge management in natural products research
2022
Expansive discovery of chemically diverse structured macrocyclic oligoamides
2024 StandoutScienceNobel
The role of artificial intelligence in healthcare: a structured literature review
2021 Standout
Synthesis and anticancer activities of some novel 2-(benzo[d]thiazol-2-yl)-8-substituted-2H-pyrazolo[4,3-c]quinolin-3(5H)-ones
2011
The NLRP3 inflammasome: molecular activation and regulation to therapeutics
2019 Standout
PLIP: fully automated protein–ligand interaction profiler
2015 Standout
Synthetic Molecular Motors and Mechanical Machines
2006 Standout
Structure-based drug repositioning over the human TMPRSS2 protease domain: search for chemical probes able to repress SARS-CoV-2 Spike protein cleavages
2020
Machine-learning approaches in drug discovery: methods and applications
2014
Selection of boron reagents for Suzuki–Miyaura coupling
2013 Standout
Trends in GPCR drug discovery: new agents, targets and indications
2017 Standout
Machine learning for molecular and materials science
2018 StandoutNature
A highly enantio- and diastereoselective 1,3-dimethylallylation of aldehydes
2006
Schistosomiasis
2018 Standout
Designing antimicrobial peptides: form follows function
2011 Standout
High Throughput Screening Identifies Novel Lead Compounds with Activity against Larval, Juvenile and Adult Schistosoma mansoni
2016
Design, synthesis, and biological evaluation of air-stable nafuredin-γ analogs as complex I inhibitors
2015 StandoutNobel
The Science of Team Science
2008 Standout
Classification of Organic Molecules by Molecular Quantum Numbers
2009
The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands
2015
Boron-Based Inhibitors of the NLRP3 Inflammasome
2017
Classification of toxicity effects of biotransformed hepatic drugs using whale optimized support vector machines
2017
The ChEMBL database in 2017
2016 Standout
Polypharmacology rescored: Protein–ligand interaction profiles for remote binding site similarity assessment
2014
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
2017 Standout
A comprehensive review in current developments of benzothiazole-based molecules in medicinal chemistry
2014 Standout
The IUPHAR/BPS Guide to PHARMACOLOGY in 2018: updates and expansion to encompass the new guide to IMMUNOPHARMACOLOGY
2017 Standout
Discovery of New Inhibitors of Mycobacterium tuberculosis InhA Enzyme Using Virtual Screening and a 3D-Pharmacophore-Based Approach
2013
Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery
2019
Macrocycles in Drug Discovery─Learning from the Past for the Future
2023
Artificial intelligence in drug discovery and development
2020 Standout
Perylene, Oligorylenes, and Aza-Analogs
2015
MoleculeNet: a benchmark for molecular machine learning
2017 Standout
Conceptual comparison of the ecogeography-based algorithm, equilibrium algorithm, marine predators algorithm and slime mold algorithm for optimal product design
2021 Standout
The NLRP3 Inflammasome: An Overview of Mechanisms of Activation and Regulation
2019 Standout
A virtual screening approach to identifying the greenest compound for a task: application to switchable-hydrophilicity solvents
2015
Basic Overview of Chemoinformatics
2006
Konformationsdesign offenkettiger Verbindungen
2000
Toward a Global Understanding of Chemical Pollution: A First Comprehensive Analysis of National and Regional Chemical Inventories
2020 Standout
Fourfold Filtered Statistical/Computational Approach for the Identification of Imidazole Compounds as HO-1 Inhibitors from Natural Products
2019
Computational Tools in the Discovery of FABP4 Ligands: A Statistical and Molecular Modeling Approach
2019
Molecular Docking and Structure-Based Drug Design Strategies
2015 Standout
Computational Modeling of β-Secretase 1 (BACE-1) Inhibitors Using Ligand Based Approaches
2016
Synthesis and Spectroscopic Properties of the Elusive 3a,9a-Diazaperylenium Dication
2002
Online structure-based screening of purchasable approved drugs and natural compounds: retrospective examples of drug repositioning on cancer targets
2018
Natural Products in the “Marketplace”: Interfacing Synthesis and Biology
2019
Molecular Docking: Shifting Paradigms in Drug Discovery
2019 Standout
Chaotic dragonfly algorithm: an improved metaheuristic algorithm for feature selection
2018
Basic Overview of Chemoinformatics.
2007
PubChem 2023 update
2022 Standout
Ultrafast Photoinduced Symmetry-Breaking Charge Separation and Electron Sharing in Perylenediimide Molecular Triangles
2015 StandoutNobel
Green and Sustainable Solvents in Chemical Processes
2018 Standout
Information Retrieval and Text Mining Technologies for Chemistry
2017
Diastereoselective Allylation of Carbonyl Compounds and Imines: Application to the Synthesis of Natural Products
2013 Standout
Marine natural products
2018 Standout
Studies of scientific discovery: Complementary approaches and convergent findings.
1999 Nobel
Molecular Docking: Challenges, Advances and its Use in Drug Discovery Perspective
2018 Standout
Photoinduced charge recombination reactions of a perylene dye in acetonitrile
1999
Single molecule spectroscopy. Perylene in the Shpol'skii matrix n-nonane
1996
Classification assessment methods
2018 Standout
A synthesis of allylboronates via the palladium(0)-catalyzed cross-coupling reaction of bis(pinacolato)diboron with allylic acetates
1996
An improved and extended internally consistent thermodynamic dataset for phases of petrological interest, involving a new equation of state for solids
2011 Standout
A choice prediction competition: Choices from experience and from description
2009 StandoutNobel
ChatGPT Chemistry Assistant for Text Mining and the Prediction of MOF Synthesis
2023 StandoutNobel
Synthesis, characterization, and biomedical assessment of novel bisimidazole–coumarin conjugates
2021 Standout
Comprehensive assessment of flexible-ligand docking algorithms: current effectiveness and challenges
2017
Heterocyclic Nanographenes and Other Polycyclic Heteroaromatic Compounds: Synthetic Routes, Properties, and Applications
2016 Standout
High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of anisotropic compression in pyroxenes
2003
Machine learning methods in chemoinformatics
2014
Introduction of Allyl and Prenyl Side‐Chains into Aromatic Systems by Suzuki Cross‐Coupling Reactions
2009
ZINC 15 – Ligand Discovery for Everyone
2015 Standout
Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study
2020 Standout
Photoluminescence Spectroscopy of Single CdSe Nanocrystallite Quantum Dots
1996 StandoutNobel
Works of Thomas Sander being referenced
Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia
2015
Flexible molecules with defined shape, II. Control of n‐heptane conformer populations by methyl substitution or ring annulation
1992
High pressure optical and X-ray diffraction studies of two polymorphs of K(RE)P2Se6 (RE=Pr and Tb)
2000
COGNOS: A Beilstein-Type System for Organizing Organic Reactions
1995
Comparison of Ligand- and Structure-Based Virtual Screening on the DUD Data Set
2009
Stereoselective Syntheses of Alcohols, XXXIII1 Addition of E‐ and Z‐Pentenylboronates to Ketones
1990
Toxicity-Indicating Structural Patterns
2006
Stereoselective Synthesis of Alcohols, XLII. Stereoselective Cyclization of (8‐Oxo‐2‐octenyl)boronates to cis‐ or trans‐2‐Vinylcyclohexanol
1993
OSIRIS, an Entirely in-House Developed Drug Discovery Informatics System
2009
DataWarrior: An Open-Source Program For Chemistry Aware Data Visualization And Analysis
2015
Photophysical and fluorescence quenching properties of 1,7-diazaperylene in solution
1995
Flexophore, a New Versatile 3D Pharmacophore Descriptor That Considers Molecular Flexibility
2008