Citation Impact
Citing Papers
Activation and Function of the MAPKs and Their Substrates, the MAPK-Activated Protein Kinases
2011 Standout
Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu 5 ) X-ray Structures
2018
Computational design of soluble and functional membrane protein analogues
2024 StandoutNatureNobel
Docking compared to 3D-pharmacophores: the scoring function challenge
2010
Supramolecular Binding Thermodynamics by Dispersion‐Corrected Density Functional Theory
2012 Standout
Monofunctionalized Pillar[5]arene as a Host for Alkanediamines
2011 StandoutNobel
Identification of natural inhibitors of Entamoeba histolytica cysteine synthase from microbial secondary metabolites
2015 StandoutNobel
Open Babel: An open chemical toolbox
2011 Standout
Evidence for CCl/CBr⋅⋅⋅π Interactions as an Important Contribution to Protein–Ligand Binding Affinity
2009
Transition-metal mediated carbon–sulfur bond activation and transformations
2012 Standout
New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
2010 Standout
Network pharmacology: the next paradigm in drug discovery
2008 Standout
Catalysis for fluorination and trifluoromethylation
2011 StandoutNature
Introduction of Fluorine and Fluorine‐Containing Functional Groups
2013 Standout
Therapeutic targeting of microRNAs: current status and future challenges
2014
A structure-based computational workflow to predict liability and binding modes of small molecules to hERG
2020 StandoutNobel
Theoretical Studies of Asymmetric Hydroformylation Using the Rh(R,S)‐BINAPHOS Catalyst—Origin of Coordination Preferences and Stereoinduction
2011
Exploring Polypharmacology in Drug Discovery and Repurposing Using the CANDO Platform
2016
Isozyme-Specific Ligands for O-acetylserine sulfhydrylase, a Novel Antibiotic Target
2013
Prediction of animal clearance using naïve Bayesian classification and extended connectivity fingerprints
2009
Halogenated ligands and their interactions with amino acids: Implications for structure–activity and structure–toxicity relationships
2008
One‐Pot Synthesis of Unsymmetrical Diaryl Thioethers by Palladium‐Catalyzed Coupling of Two Aryl Bromides and a Thiol Surrogate
2010
Drug delivery systems for RNA therapeutics
2022
A Benzothiophene Inhibitor of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 Inhibits Tumor Necrosis Factor α Production and Has Oral Anti-Inflammatory Efficacy in Acute and Chronic Models of Inflammation
2010
Molecular dynamics-driven drug discovery: leaping forward with confidence
2016
Halogen bonding and other σ-hole interactions: a perspective
2013 Standout
Binding Mechanisms in Supramolecular Complexes
2009
MicroRNA therapeutics: towards a new era for the management of cancer and other diseases
2017 Standout
A Priori Theoretical Prediction of Selectivity in Asymmetric Catalysis: Design of Chiral Catalysts by Using Quantum Molecular Interaction Fields
2006
In silico methods to address polypharmacology: current status, applications and future perspectives
2015
PROTAC targeted protein degraders: the past is prologue
2022 Standout
Applications of machine learning in drug discovery and development
2019 Standout
Long Non-coding RNAs: At the Heart of Cardiac Dysfunction?
2019
Computational toxicology—a tool for early safety evaluation
2009
Discovery and resupply of pharmacologically active plant-derived natural products: A review
2015 Standout
Gene regulation by long non-coding RNAs and its biological functions
2020 Standout
Oral Druggable Space beyond the Rule of 5: Insights from Drugs and Clinical Candidates
2014
Bindungsmechanismen in supramolekularen Komplexen
2009
3d Transition Metals for C–H Activation
2018 Standout
Fluorine in medicinal chemistry
2007 Standout
Cu and Cu-Based Nanoparticles: Synthesis and Applications in Catalysis
2016 Standout
Integrating Structure-Based and Ligand-Based Approaches for Computational Drug Design
2011
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
2015 Standout
Complexation of Polyoxometalates with Cyclodextrins
2015 StandoutNobel
Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design
2018 Standout
Synthesis and solution-state dynamics of donor–acceptor oligorotaxane foldamers
2013 StandoutNobel
Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases
2018
A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins
2015
Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019
2020 Standout
The Medicinal Chemist’s Toolbox: An Analysis of Reactions Used in the Pursuit of Drug Candidates
2011 Standout
TMACC: Interpretable Correlation Descriptors for Quantitative Structure−Activity Relationships
2007
Design and NMR-Based Screening of LEF, a Library of Chemical Fragments with Different Local Environment of Fluorine
2009
Next Generation of Fluorine-Containing Pharmaceuticals, Compounds Currently in Phase II–III Clinical Trials of Major Pharmaceutical Companies: New Structural Trends and Therapeutic Areas
2016 Standout
Catalytic Asymmetric Hydroalkoxylation of C–C Multiple Bonds
2021 StandoutNobel
Carbohydrate-Mediated Purification of Petrochemicals
2015 StandoutNobel
Precise Modulation of CO2 Sorption in Ti8Ce2–Oxo Clusters: Elucidating Lewis Acidity of the Ce Metal Sites and Structural Flexibility
2024 StandoutNobel
Formation of Carbon–Sulfur and Carbon–Selenium Bonds by Palladium-Catalyzed Decarboxylative Cross-Couplings of Hindered 2,6-Dialkoxybenzoic Acids
2011
Extended-Connectivity Fingerprints
2010 Standout
Discovery of Novel and Cardioselective Diltiazem-like Calcium Channel Blockers via Virtual Screening
2008
SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules
2019 Standout
Molecular Docking: Shifting Paradigms in Drug Discovery
2019 Standout
Fluorine Bonding — How Does It Work In Protein−Ligand Interactions?
2009
Transition-Metal-Catalyzed C−S, C−Se, and C−Te Bond Formation via Cross-Coupling and Atom-Economic Addition Reactions
2011 Standout
Quantitative Structure–Selectivity Relationships in Enantioselective Catalysis: Past, Present, and Future
2019
Structural and Biochemical Studies of a Fluoroacetyl-CoA-Specific Thioesterase Reveal a Molecular Basis for Fluorine Selectivity
2010 StandoutNobel
ETCM: an encyclopaedia of traditional Chinese medicine
2018 Standout
A Novel Approach for Predicting P-Glycoprotein (ABCB1) Inhibition Using Molecular Interaction Fields
2011
Fluorine in Peptide Design and Protein Engineering
2005
FiehnLib: Mass Spectral and Retention Index Libraries for Metabolomics Based on Quadrupole and Time-of-Flight Gas Chromatography/Mass Spectrometry
2009 Standout
Pharmer: Efficient and Exact Pharmacophore Search
2011
Aromatic Trifluoromethylation with Metal Complexes
2011 Standout
Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints
2017
Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes
2016 StandoutNobel
The Halogen Bond
2016 Standout
Beyond the Rule of 5: Lessons Learned from AbbVie’s Drugs and Compound Collection
2017
Addressing Selective Polypharmacology of Antipsychotic Drugs Targeting the Bioaminergic Receptors through Receptor Dynamic Conformational Ensembles
2013
MetaSite: Understanding Metabolism in Human Cytochromes from the Perspective of the Chemist
2005
Natural Products as Sources of New Drugs from 1981 to 2014
2016 Standout
Hydrogen bonds with fluorine. Studies in solution, in gas phase and by computations, conflicting conclusions from crystallographic analyses
2012
Rational Design of Bisphosphonate Lipid-like Materials for mRNA Delivery to the Bone Microenvironment
2022 StandoutNobel
Applications of Fluorine in Medicinal Chemistry
2015 Standout
One‐Pot Synthesis of Polyfunctionalized 4H‐Chromenes and Dihydrocoumarins Based on Copper(II) Bromide‐Catalyzed CC Coupling of Benzylic Alcohols with Ketene Dithioacetals
2010
Photopharmacology: Beyond Proof of Principle
2014 StandoutNobel
A Medicinal Chemist’s Guide to Molecular Interactions
2010 Standout
Applied Hydroformylation
2012 Standout
Fluorination in Medicinal Chemistry: Methods, Strategies, and Recent Developments
2008 Standout
Works of Simone Sciabola being referenced
Novel TOPP descriptors in 3D-QSAR analysis of apoptosis inducing 4-aryl-4H-chromenes: Comparison versus other 2D- and 3D-descriptors
2007
High-Throughput Biochemical Kinase Selectivity Assays: Panel Development and Screening Applications
2008
Sequence motifs associated with hepatotoxicity of locked nucleic acid—modified antisense oligonucleotides
2014
Hydrogen Bonding Interactions of Covalently Bonded Fluorine Atoms: From Crystallographic Data to a New Angular Function in the GRID Force Field
2004
High Throughput Method for the Indirect Detection of Intramolecular Hydrogen Bonding
2014
A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application
2007
Predicting Kinase Selectivity Profiles Using Free-Wilson QSAR Analysis
2008
Chemical Modification Study of Antisense Gapmers
2012
Pharmacophoric Fingerprint Method (TOPP) for 3D-QSAR Modeling: Application to CYP2D6 Metabolic Stability
2006
High-Throughput Virtual Screening of Proteins Using GRID Molecular Interaction Fields
2009
Theoretical Prediction of the Enantiomeric Excess in Asymmetric Catalysis. An Alignment-Independent Molecular Interaction Field Based Approach
2005
Comparison of Ligand-Based and Structure-Based 3D-QSAR Approaches: A Case Study on (Aryl-)Bridged 2-Aminobenzonitriles Inhibiting HIV-1 Reverse Transcriptase
2005