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Anatomy1

Cell Line, Tumor

Organisms3

Trypanosoma cruzi HIV-1 Escherichia coli

Diseases1

Chemicals and Drugs41

Ligands Cystine-Knot Miniproteins Pharmaceutical Preparations Small Molecule Libraries Cyclotides Proteins Enzyme Inhibitors Boranes Lipoxygenases Heterocyclic Compounds, 2-Ring Phosphorous Acids HIV Protease HIV Integrase Inhibitors Antineoplastic Agents Peptides Receptors, G-Protein-Coupled Enzymes Trypanocidal Agents Antiviral Agents Solvents Recombinant Proteins Protein Kinase Inhibitors Antiparasitic Agents Sulfonic Acids Antiprotozoal Agents Solutions Neuraminidase Oligopeptides HIV Integrase HIV Protease Inhibitors Folic Acid Antagonists Thiophenes Protease Inhibitors Bacterial Proteins Biological Products Antimalarials Prodrugs Water Protozoan Proteins Thymidylate Synthase DNA

Analytical, Diagnostic and Therapeutic Techniques and Equipment32

Drug Design Models, Molecular Crystallography, X-Ray Molecular Docking Simulation Drug Discovery Research Design Molecular Dynamics Simulation Drug Evaluation, Preclinical Models, Chemical Drug Delivery Systems Equipment Design Crystallization Inhibitory Concentration 50 Nuclear Magnetic Resonance, Biomolecular High-Throughput Screening Assays Magnetic Resonance Spectroscopy Sequence Alignment Protein Engineering Combinatorial Chemistry Techniques Protein Interaction Mapping Models, Biological Sequence Analysis, Protein Mutagenesis, Site-Directed Calorimetry Crystallography Reproducibility of Results Drug Screening Assays, Antitumor Molecular Targeted Therapy Amino Acid Substitution Technology, Pharmaceutical Prosthesis Design Prospective Studies

Phenomena and Processes45

Quantitative Structure-Activity Relationship Structure-Activity Relationship Protein Conformation Binding Sites Cystine Knot Motifs Molecular Structure Protein Binding Molecular Conformation Amino Acid Sequence Molecular Dynamics Simulation Structural Homology, Protein Catalytic Domain Hydrogen Bonding Protein Structure, Tertiary Algorithms Protein Structure, Secondary Thermodynamics Substrate Specificity Crystallization Inhibitory Concentration 50 Sequence Homology, Amino Acid Hydrophobic and Hydrophilic Interactions Protein Interaction Domains and Motifs Combinatorial Chemistry Techniques Allosteric Site Protein Structure, Quaternary Kinetics Static Electricity Protein Folding Pliability Protein Multimerization G-Quadruplexes Mutation Entropy Catalysis Amino Acid Substitution Time Factors Stereoisomerism Amino Acid Motifs Dimerization Allosteric Regulation Signal Transduction Protein Stability Biocatalysis Dose-Response Relationship, Drug

Disciplines and Occupations8

Drug Design Drug Discovery Research Design Computational Biology Chemistry, Pharmaceutical Crystallography Technology, Pharmaceutical Quantum Theory

Technology, Industry, Agriculture3

Combinatorial Chemistry Techniques Technology, Pharmaceutical Drug Industry

Information Science17

Computer-Aided Design Molecular Docking Simulation Amino Acid Sequence Molecular Dynamics Simulation Molecular Sequence Data Computer Simulation Algorithms Software Databases, Pharmaceutical Databases, Protein Informatics User-Computer Interface Internet Databases, Factual Support Vector Machines Software Design Artificial Intelligence

Health Care2

Reproducibility of Results Prospective Studies

Anatomy Organisms Diseases Chemicals and Drugs Analytical, Diagnostic and Therapeutic Techniques and Equipment Phenomena and Processes Disciplines and Occupations Technology, Industry, Agriculture Information Science Health Care

Drug Design Computer-Aided Design Models, Molecular Crystallography, X-Ray Molecular Docking Simulation Ligands Quantitative Structure-Activity Relationship Structure-Activity Relationship Protein Conformation Drug Discovery Binding Sites Research Design Cystine Knot Motifs Molecular Structure Protein Binding Molecular Conformation Amino Acid Sequence Molecular Dynamics Simulation Cystine-Knot Miniproteins Structural Homology, Protein Catalytic Domain Hydrogen Bonding Molecular Sequence Data Pharmaceutical Preparations Computer Simulation Protein Structure, Tertiary Small Molecule Libraries Cyclotides Proteins Drug Evaluation, Preclinical Algorithms Computational Biology Protein Structure, Secondary Models, Chemical Thermodynamics Software Enzyme Inhibitors Databases, Pharmaceutical Drug Delivery Systems Databases, Protein Equipment Design Chemistry, Pharmaceutical Boranes Lipoxygenases Informatics Substrate Specificity Heterocyclic Compounds, 2-Ring Crystallization Inhibitory Concentration 50 Nuclear Magnetic Resonance, Biomolecular Phosphorous Acids HIV Protease Sequence Homology, Amino Acid HIV Integrase Inhibitors User-Computer Interface High-Throughput Screening Assays Hydrophobic and Hydrophilic Interactions Magnetic Resonance Spectroscopy Protein Interaction Domains and Motifs Antineoplastic Agents Sequence Alignment Protein Engineering Internet Combinatorial Chemistry Techniques Peptides Protein Interaction Mapping Allosteric Site Protein Structure, Quaternary Kinetics Static Electricity Receptors, G-Protein-Coupled Protein Folding Enzymes Neoplasms Databases, Factual Pliability Trypanocidal Agents Protein Multimerization Models, Biological G-Quadruplexes Antiviral Agents Mutation Sequence Analysis, Protein Entropy Solvents Catalysis Mutagenesis, Site-Directed Calorimetry Recombinant Proteins Protein Kinase Inhibitors Support Vector Machines Crystallography Antiparasitic Agents Sulfonic Acids Reproducibility of Results Drug Screening Assays, Antitumor Antiprotozoal Agents Solutions Neuraminidase Oligopeptides

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