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Targeting Protein–Protein Interactions and Fragment-Based Drug Discovery
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Synthetic Inhibitors of Extended Helix–Protein Interactions Based on a Biphenyl 4,4′‐Dicarboxamide Scaffold
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Small‐molecule protein–protein interaction inhibitors: Therapeutic potential in light of molecular size, chemical space, and ligand binding efficiency considerations
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Electrostatic complementarity at protein/protein interfaces 1 1Edited by B. Honig
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Electrostatic enhancement of diffusion-controlled protein-protein association: comparison of theory and experiment on barnase and barstar 1 1Edited by B. Honig
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Structural response to mutation at a protein-protein interface 1 1Edited by R. Huber
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Fragment Screening Using X-Ray Crystallography
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Introduction to Fragment-Based Drug Discovery
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Combining NMR and X-ray Crystallography in Fragment-Based Drug Discovery: Discovery of Highly Potent and Selective BACE-1 Inhibitors
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Combining Biophysical Screening and X-Ray Crystallography for Fragment-Based Drug Discovery
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Principles of Fluorescence Spectroscopy
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Principles of Fluorescence Spectroscopy
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Small Molecule Inhibitors of Protein–Protein Interactions
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The Hydrophobic Effect: Formation of Micelles and Biological Membranes
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Structural and thermodynamic analysis of the packing of two α-helices in bacteriophage T4 lysozyme
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Surface electrostatic interactions contribute little to stability of barnase
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Structure-based drug design
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Fragment Screening Purely with Protein Crystallography
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A fluorescence correlation spectroscopy-based assay for fragment screening of slowly inhibiting protein–peptide interaction inhibitors
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Discovery of novel inhibitors of the ZipA/FtsZ complex by NMR fragment screening coupled with structure-based design
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β-Peptides with improved affinity for hDM2 and hDMX
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Drugging challenging targets using fragment-based approaches
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An Allosteric Mechanism for Activation of the Kinase Domain of Epidermal Growth Factor Receptor
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Selective Inhibition of c-Myc/Max Dimerization and DNA Binding by Small Molecules
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Highly Discriminating Protein–Protein Interaction Specificities in the Context of a Conserved Binding Energy Hotspot
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Protein–Protein Interactions: Hot Spots and Structurally Conserved Residues often Locate in Complemented Pockets that Pre-organized in the Unbound States: Implications for Docking
inferredcites →https://doi.org/10.1016/j.jmb.2004.10.077openalex-snapshot
Hot Regions in Protein–Protein Interactions: The Organization and Contribution of Structurally Conserved Hot Spot Residues
inferredcites →https://doi.org/10.1016/j.jmb.2008.09.073openalex-snapshot
The Thermodynamics of Protein–Ligand Interaction and Solvation: Insights for Ligand Design
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Protein–protein interactions in the allosteric regulation of protein kinases
inferredcites →https://doi.org/10.1016/j.sbi.2010.04.003openalex-snapshot
Structural biology in fragment-based drug design
inferredcites →https://doi.org/10.1016/j.sbi.2010.09.001openalex-snapshot
Higher throughput calorimetry: opportunities, approaches and challenges
inferredcites →https://doi.org/10.1016/j.str.2010.08.007openalex-snapshot
Transient Protein-Protein Interactions: Structural, Functional, and Network Properties
inferredcites →https://doi.org/10.1016/s0006-3495(96)79404-3openalex-snapshot
How Hofmeister ion interactions affect protein stability
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Temperature, stability, and the hydrophobic interaction
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Free Energy Landscapes of Encounter Complexes in Protein-Protein Association
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Experimental design for kinetic analysis of protein-protein interactions with surface plasmon resonance biosensors
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Some Factors in the Interpretation of Protein Denaturation
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Electrostatic aspects of protein–protein interactions
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Unraveling hot spots in binding interfaces: progress and challenges
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Design of a synthetic Mdm2-binding mini protein that activates the p53 response in vivo
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Structure-based drug design: progress, results and challenges
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Wet and dry interfaces: the role of solvent in protein–protein and protein–DNA recognition
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Morphology of protein–protein interfaces
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Crystal Structure of ARF1•Sec7 Complexed with Brefeldin A and Its Implications for the Guanine Nucleotide Exchange Mechanism
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Structure-based screening of low-affinity compounds
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Protein-interaction networks: from experiments to analysis
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Ligand efficiency: a useful metric for lead selection
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Keynote review: Structural biology and drug discovery
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Predicting protein druggability
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Small-molecule antagonists of the oncogenic Tcf/β-catenin protein complex
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NMR-based screening in drug discovery
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Interaction of barnase with its polypeptide inhibitor barstar studied by protein engineering
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Protein-protein recognition: Crystal structural analysis of a barnase-barstar complex at 2.0-.ANG. resolution
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Contribution of long-range electrostatic interactions to the stabilization of the catalytic transition state of the serine protease subtilisin BPN'
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Surface Salt Bridges, Double-Mutant Cycles, and Protein Stability: an Experimental and Computational Analysis of the Interaction of the Asp 23 Side Chain with the N-Terminus of the N-Terminal Domain of the Ribosomal Protein L9
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Prevention of MKK6-Dependent Activation by Binding to p38α MAP Kinase
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Contribution of Cation−π Interactions to Protein Stability
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A Mutational Analysis of Binding Interactions in an Antigen−Antibody Protein−Protein Complex
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Effects of Core Mutations on the Folding of a β-Sheet Protein: Implications for Backbone Organization in the I-State
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Contribution of Surface Salt Bridges to Protein Stability,
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Using Small Molecules and Chemical Genetics To Interrogate Signaling Networks
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Fundamental Aspects of Protein−Protein Association Kinetics
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Protein−Protein Interactions: Interface Structure, Binding Thermodynamics, and Mutational Analysis
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Toward Proteomimetics: Terphenyl Derivatives as Structural and Functional Mimics of Extended Regions of an α-Helix
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A Novel Approach for Characterizing Protein Ligand Complexes: Molecular Basis for Specificity of Small-Molecule Bcl-2 Inhibitors
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Synthesis of a Negatively Charged Dibenzofuran-Based β-Turn Mimetic and Its Incorporation into the WW Miniprotein-Enhanced Solubility without a Loss of Thermodynamic Stability
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Protein Prosthesis: A Semisynthetic Enzyme with a β-Peptide Reverse Turn
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Discovery of a Potent Small Molecule IL-2 Inhibitor through Fragment Assembly
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Cross-Linking Strategy for Molecular Recognition and Fluorescent Sensing of a Multi-phosphorylated Peptide in Aqueous Solution
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Free Energy, Entropy, and Induced Fit in Host−Guest Recognition: Calculations with the Second-Generation Mining Minima Algorithm
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Structure-Based Design of Potent Non-Peptide MDM2 Inhibitors
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Monitoring the Effects of Antagonists on Protein−Protein Interactions with NMR Spectroscopy
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Inhibiting HIV Fusion with a β-Peptide Foldamer
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(α/β+α)-Peptide Antagonists of BH3 Domain/Bcl-xL Recognition: Toward General Strategies for Foldamer-Based Inhibition of Protein−Protein Interactions
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Surface Recognition and Fluorescence Sensing of Histone by Dansyl-Appended Cyclophane-Based Resorcinarene Trimer
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Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis
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Discovery of Potent Nonpeptide Inhibitors of Stromelysin Using SAR by NMR
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Identification of a Small Molecule Inhibitor of the IL-2/IL-2Rα Receptor Interaction Which Binds to IL-2
inferredcites →https://doi.org/10.1021/jm020230jopenalex-snapshot
Identification of Potent and Selective Small-Molecule Inhibitors of Caspase-3 through the Use of Extended Tethering and Structure-Based Drug Design
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Druggability Indices for Protein Targets Derived from NMR-Based Screening Data
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Fragment-Based Lead Discovery Using X-ray Crystallography
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Integrating Fragment Assembly and Biophysical Methods in the Chemical Advancement of Small-Molecule Antagonists of IL-2: An Approach for Inhibiting Protein−Protein Interactions
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Discovery of a Potent Inhibitor of the Antiapoptotic Protein Bcl-x L from NMR and Parallel Synthesis
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Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
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Structure-Based Design of Spiro-oxindoles as Potent, Specific Small-Molecule Inhibitors of the MDM2−p53 Interaction
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Surface Plasmon Resonance Biosensor Based Fragment Screening Using Acetylcholine Binding Protein Identifies Ligand Efficiency Hot Spots (LE Hot Spots) by Deconstruction of Nicotinic Acetylcholine Receptor α7 Ligands
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Surface Plasmon Resonance Based Assay for the Detection and Characterization of Promiscuous Inhibitors
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Identification of MMP-12 Inhibitors by Using Biosensor-Based Screening of a Fragment Library
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An Orally Bioavailable Pyrrolinone Inhibitor of HIV-1 Protease: Computational Analysis and X-ray Crystal Structure of the Enzyme Complex
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WaterLOGSY as a method for primary NMR screening: Practical aspects and range of applicability
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The consequences of translational and rotational entropy lost by small molecules on binding to proteins
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Hydrophobic bonding and accessible surface area in proteins
inferredcites →https://doi.org/10.1038/314235a0openalex-snapshot
Hydrogen bonding and biological specificity analysed by protein engineering
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Identification of small-molecule inhibitors of interaction between the BH3 domain and Bcl-xL
inferredcites →https://doi.org/10.1038/80257openalex-snapshot
Design of GFB-111, a platelet-derived growth factor binding molecule with antiangiogenic and anticancer activity against human tumors in mice
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Discovering novel ligands for macromolecules using X-ray crystallographic screening
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A network of protein–protein interactions in yeast
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Tissue specificity and the human protein interaction network
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Reaching for high-hanging fruit in drug discovery at protein–protein interfaces
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A small molecule–kinase interaction map for clinical kinase inhibitors
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In situ assembly of enzyme inhibitors using extended tethering
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Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery
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Between a rock and a hard place?
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Integrated network analysis platform for protein-protein interactions
inferredcites →https://doi.org/10.1038/nmeth.1284openalex-snapshot
Literature-curated protein interaction datasets
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Recurated protein interaction datasets
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The use of differential scanning fluorimetry to detect ligand interactions that promote protein stability
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The productivity crisis in pharmaceutical R&D
inferredcites →https://doi.org/10.1038/nrd706openalex-snapshot
High-throughput crystallography for lead discovery in drug design
inferredcites →https://doi.org/10.1038/nrd746openalex-snapshot
Allosteric binding sites on cell-surface receptors: novel targets for drug discovery
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Specific versus non-specific contacts in protein crystals
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Apoptosis-based therapies and drug targets
inferredcites →https://doi.org/10.1042/0264-6021:3470193openalex-snapshot
Electrostatic interactions affecting the active site of class Sigma glutathione S-transferase
inferredcites →https://doi.org/10.1042/bst0361414openalex-snapshot
α-Helix mimetics as inhibitors of protein–protein interactions
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Stability and folding of the protein complexes of barnase
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Hot-spot mimicry of a cytokine receptor by a small molecule
inferredcites →https://doi.org/10.1073/pnas.0610494104openalex-snapshot
Ligand configurational entropy and protein binding
inferredcites →https://doi.org/10.1073/pnas.0700773104openalex-snapshot
Structure-based discovery of an inhibitor of Arf activation by Sec7 domains through targeting of protein–protein complexes
inferredcites →https://doi.org/10.1073/pnas.232566599openalex-snapshot
Short constrained peptides that inhibit HIV-1 entry
inferredcites →https://doi.org/10.1073/pnas.252756299openalex-snapshot
Binding of small molecules to an adaptive protein–protein interface
inferredcites →https://doi.org/10.1073/pnas.88.10.4498openalex-snapshot
A systematic mutational analysis of hormone-binding determinants in the human growth hormone receptor.
inferredcites →https://doi.org/10.1073/pnas.90.6.2428openalex-snapshot
Identification of a direct interaction between interleukin 2 and the p64 interleukin 2 receptor gamma chain.
inferredcites →https://doi.org/10.1073/pnas.92.8.3199openalex-snapshot
Measurement of the binding of tyrosyl phosphopeptides to SH2 domains: a reappraisal.
inferredcites →https://doi.org/10.1073/pnas.93.1.1openalex-snapshot
Binding in the growth hormone receptor complex.
inferredcites →https://doi.org/10.1073/pnas.93.1.13openalex-snapshot
Principles of protein-protein interactions.
inferredcites →https://doi.org/10.1073/pnas.97.10.5050openalex-snapshot
Selective disruption of protein aggregation by cyclodextrin dimers
inferredcites →https://doi.org/10.1073/pnas.97.4.1506openalex-snapshot
Allosteric inhibitors of inducible nitric oxide synthase dimerization discovered via combinatorial chemistry
inferredcites →https://doi.org/10.1074/jbc.m303608200openalex-snapshot
Inhibition of Human Papillomavirus DNA Replication by Small Molecule Antagonists of the E1-E2 Protein Interaction
inferredcites →https://doi.org/10.1093/bioinformatics/17.3.284openalex-snapshot
ASEdb: a database of alanine mutations and their effects on the free energy of binding in protein interactions
inferredcites →https://doi.org/10.1093/bioinformatics/btm373openalex-snapshot
APID2NET: unified interactome graphic analyzer
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On the number of protein-protein interactions in the yeast proteome
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MINT: the Molecular INTeraction database
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The IntAct molecular interaction database in 2010
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MINT, the molecular interaction database: 2009 update
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The STRING database in 2011: functional interaction networks of proteins, globally integrated and scored
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Hydrogen bonds and salt bridges across protein-protein interfaces
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An analysis of conformational changes on protein–protein association: implications for predictive docking
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The price of lost freedom: entropy of bimolecular complex formation
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In vitro display technologies reveal novel biopharmaceutics
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Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery
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Subcellular localization of the yeast proteome
inferredcites →https://doi.org/10.1107/s0907444905034281openalex-snapshot
Industrial perspective on X-ray data collection and analysis
inferredcites →https://doi.org/10.1107/s090744490603575xopenalex-snapshot
Macromolecular recognition in the Protein Data Bank
inferredcites →https://doi.org/10.1107/s0907444906047020openalex-snapshot
Crystallization of protein–ligand complexes
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An automated microseed matrix-screening method for protein crystallization
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Screening the MayBridge Rule of 3 Fragment Library for Compounds That Interact with theTrypanosoma brucei myo-Inositol-3-Phosphate Synthase and/or Show Trypanocidal Activity
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BindingDB Entry 50007648: Novel, Self-Assembling Dimeric Inhibitors of Human β Tryptase.
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