Citation Impact
Citing Papers
Fast and versatile sequence-independent protein docking for nanomaterials design using RPXDock
2023 StandoutNobel
High-Resolution Crystal Structure of an Engineered Human β 2 -Adrenergic G Protein–Coupled Receptor
2007 StandoutScienceNobel
Crystal Structure-Based Virtual Screening for Fragment-like Ligands of the Human Histamine H 1 Receptor
2011
Computer‐Assisted Synthetic Planning: The End of the Beginning
2016
Characterization of RA839, a Noncovalent Small Molecule Binder to Keap1 and Selective Activator of Nrf2 Signaling
2015
Solvent accessible surface area approximations for rapid and accurate protein structure prediction
2009
Docking compared to 3D-pharmacophores: the scoring function challenge
2010
Analysis and comparison of 2D fingerprints: Insights into database screening performance using eight fingerprint methods
2010
Computational protein–ligand docking and virtual drug screening with the AutoDock suite
2016 Standout
Absolute binding free energy calculations: On the accuracy of computational scoring of protein–ligand interactions
2010 StandoutNobel
Community-wide assessment of GPCR structure modelling and ligand docking: GPCR Dock 2008
2009
The influence of drug-like concepts on decision-making in medicinal chemistry
2007 Standout
Glucagon-Like Peptide-1 and Its Class B G Protein–Coupled Receptors: A Long March to Therapeutic Successes
2016
Role of the methylcitrate cycle in Mycobacterium tuberculosis metabolism, intracellular growth, and virulence
2006
G protein coupled receptor structure and activation
2006 StandoutNobel
Structure of rhodopsin and the metarhodopsin I photointermediate
2005
High-Resolution Modeling of Transmembrane Helical Protein Structures from Distant Homologues
2014 StandoutNobel
Rescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental Testing
2008
Receptor systems: Will mining the receptorome yield novel targets for pharmacotherapy?
2005
Structure-Based Drug Design Strategies in Medicinal Chemistry
2009
High-resolution crystal structure of human protease-activated receptor 1
2012 StandoutNatureNobel
The spectrum of latent tuberculosis: rethinking the biology and intervention strategies
2009 Standout
Toward Deciphering the Code to Aminergic G Protein-Coupled Receptor Drug Design
2008
PLIP: fully automated protein–ligand interaction profiler
2015 Standout
SWISS-MODEL: modelling protein tertiary and quaternary structure using evolutionary information
2014 Standout
Trends in GPCR drug discovery: new agents, targets and indications
2017 Standout
Integrating Virtual Screening and Combinatorial Chemistry for Accelerated Drug Discovery
2011
Machine learning for molecular and materials science
2018 StandoutNature
The 7 TM G‐Protein‐Coupled Receptor Target Family
2006
Computational Methods in Drug Discovery
2014
Molecular Dynamics Simulation for All
2018 Standout
I-TASSER server: new development for protein structure and function predictions
2015 Standout
Role of computer-aided drug design in modern drug discovery
2015
International Union of Basic and Clinical Pharmacology. LXXXI. Nomenclature and Classification of Adenosine Receptors—An Update
2011 Standout
Automated Protein Structure Homology Modeling: A Progress Report
2004
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
2013 Standout
Ligand-specific regulation of the extracellular surface of a G-protein-coupled receptor
2010 StandoutNatureNobel
Ligand discovery from a dopamine D3 receptor homology model and crystal structure
2011
Molecular Docking
2008
Assessment of predictions submitted for the CASP7 domain prediction category
2007 StandoutNobel
Designing antimicrobial peptides: form follows function
2011 Standout
Structure-based drug screening for G-protein-coupled receptors
2012 StandoutNobel
Binding of Protein Kinase Inhibitors to Synapsin I Inferred from Pair-Wise Binding Site Similarity Measurements
2010
Q‐Dock: Low‐resolution flexible ligand docking with pocket‐specific threading restraints
2008
PubChem Substance and Compound databases
2015 Standout
Transcription Factor NRF2 as a Therapeutic Target for Chronic Diseases: A Systems Medicine Approach
2018 Standout
Virtual ligand screening: strategies, perspectives and limitations
2006
Identifying conformational changes of the β2 adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators
2009
Analysis and Separation of Residues Important for the Chemoattractant and Antimicrobial Activities of β-Defensin 3
2008 StandoutNobel
Analysis of Pharmacology Data and the Prediction of Adverse Drug Reactions and Off‐Target Effects from Chemical Structure
2007
Modelling three-dimensional protein structures for applications in drug design
2013
Virtual screening of chemical libraries
2004 Nature
RosettaLigand Docking with Full Ligand and Receptor Flexibility
2008 StandoutNobel
A comprehensive examination of the contributions to the binding entropy of protein–ligand complexes
2010 StandoutNobel
Crystal structure of the µ-opioid receptor bound to a morphinan antagonist
2012 StandoutNatureNobel
Applications of machine learning in drug discovery and development
2019 Standout
I-TASSER: a unified platform for automated protein structure and function prediction
2010 Standout
Structure of a β1-adrenergic G-protein-coupled receptor
2008 StandoutNatureNobel
In silico toxicology for the pharmaceutical sciences☆
2009
The Use of GPCR Structures in Drug Design
2011
SuperLigands – a database of ligand structures derived from the Protein Data Bank
2005
In silicopharmacology for drug discovery: applications to targets and beyond
2007
Structure-based drug design to augment hit discovery
2011
The SWISS-MODEL Repository and associated resources
2008 Standout
Human acidic mammalian chitinase as a novel target for anti-asthma drug design using in silico screening
2013 StandoutNobel
Structure-based development of target-specific compound libraries
2006
Discovery and resupply of pharmacologically active plant-derived natural products: A review
2015 Standout
PharmaGist: a webserver for ligand-based pharmacophore detection
2008
Protein structure modeling in the proteomics era
2004
Template-Based Protein Modeling: Recent Methodological Advances
2010
Are GPCRs Still a Source of New Targets?
2013
Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?
2008
Overview of the Status and Global Strategy for Neonicotinoids
2010 Standout
Click Chemistry for Drug Development and Diverse Chemical–Biology Applications
2013 Standout
Rapid Sampling of Hydrogen Bond Networks for Computational Protein Design
2018 StandoutNobel
The SWISS-MODEL workspace: a web-based environment for protein structure homology modelling
2005 Standout
G Protein-Coupled Receptor 119 (GPR119) Agonists for the Treatment of Diabetes: Recent Progress and Prevailing Challenges
2015
Engineered Biosynthesis of β‐Alkyl Tryptophan Analogues
2018 StandoutNobel
Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases
2018
Engineering enzymes for noncanonical amino acid synthesis
2018 StandoutNobel
SWISS-MODEL: homology modelling of protein structures and complexes
2018 Standout
Molecular Docking Screens Using Comparative Models of Proteins
2009
Correction: Binding of Protein Kinase Inhibitors to Synapsin I Inferred from Pair-Wise Binding Site Similarity Measurements
2010
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
Identification of Nonpeptide CCR5 Receptor Agonists by Structure-based Virtual Screening
2007
A Phase 2, Randomized, Dose-Finding Study of the Novel Once-Weekly Human GLP-1 Analog, Semaglutide, Compared With Placebo and Open-Label Liraglutide in Patients With Type 2 Diabetes
2015
Extended-Connectivity Fingerprints
2010 Standout
Comparison of Shape-Matching and Docking as Virtual Screening Tools
2006
Molecular Docking: Shifting Paradigms in Drug Discovery
2019 Standout
LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening
2020
PubChem 2023 update
2022 Standout
Structure-based discovery of β 2 -adrenergic receptor ligands
2009 StandoutNobel
Protein Flexibility in Virtual Screening: The BACE-1 Case Study
2012
Computational Modeling Approaches to Structure−Function Analysis of G Protein-Coupled Receptors
2005
Click-Chemistry-Mediated Synthesis of Selective Melanocortin Receptor 4 Agonists
2017 StandoutNobel
Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping
2008
MOLECULAR MECHANISM OF 7TM RECEPTOR ACTIVATION—A GLOBAL TOGGLE SWITCH MODEL
2006
Unusual Amino Acids in Medicinal Chemistry
2016
Latest developments in molecular docking: 2010–2011 in review
2013
Update 1 of: Computational Modeling Approaches to Structure–Function Analysis of G Protein-Coupled Receptors
2011
Lipidomics reveals control of Mycobacterium tuberculosis virulence lipids via metabolic coupling
2007 StandoutNobel
Chemistry and Biology Of Multicomponent Reactions
2012 Standout
Structure-based ligand discovery for the protein–protein interface of chemokine receptor CXCR4
2012
A threading-based method (FINDSITE) for ligand-binding site prediction and functional annotation
2007
Comparative Protein Structure Modeling Using Modeller
2006 Standout
Selective Structure-Based Virtual Screening for Full and Partial Agonists of the β2 Adrenergic Receptor
2008
Works of Andreas Evers being referenced
GPCR Antitarget Modeling: Pharmacophore Models for Biogenic Amine Binding GPCRs to Avoid GPCR‐Mediated Side Effects
2005
Ligand-supported Homology Modelling of Protein Binding-sites using Knowledge-based Potentials
2003
Comparison of Structure‐ and Ligand‐Based Virtual Screening Protocols Considering Hit List Complementarity and Enrichment Factors
2009
Ligand‐Supported Homology Modeling of G‐Protein‐Coupled Receptor Sites: Models Sufficient for Successful Virtual Screening
2003
Crystal Structure of 2-Methylisocitrate Lyase (PrpB) from Escherichia coli and Modelling of its Ligand Bound Active Centre
2003
Recent progress and future options in the development of GLP-1 receptor agonists for the treatment of diabesity
2013
Virtual Screening of Biogenic Amine-Binding G-Protein Coupled Receptors: Comparative Evaluation of Protein- and Ligand-Based Virtual Screening Protocols
2005
Successful Virtual Screening for a Submicromolar Antagonist of the Neurokinin-1 Receptor Based on a Ligand-Supported Homology Model
2004
Sequence-Derived Three-Dimensional Pharmacophore Models for G-Protein-Coupled Receptors and Their Application in Virtual Screening
2009
CROSS: An Efficient Workflow for Reaction-Driven Rescaffolding and Side-Chain Optimization Using Robust Chemical Reactions and Available Reagents
2013
Structure-based Drug Discovery Using GPCR Homology Modeling: Successful Virtual Screening for Antagonists of the Alpha1A Adrenergic Receptor
2005
Multiple-Ligand-Based Virtual Screening: Methods and Applications of the MTree Approach
2005
Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa) from Natural Product Anabaenopeptin
2015