Drug Design
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(α/β+α)-Peptide Antagonists of BH3 Domain/Bcl-xLRecognition: Toward General Strategies for Foldamer-Based Inhibition of Protein−Protein Interactions Academic Article
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2-Methoxyestradiol – a unique blend of activities generating a new class of anti-tumour/anti-inflammatory agents Academic Article
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A Bright Future for Evolutionary Methods in Drug Design Academic Article
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A Cryptic T Cell Epitope on the Apical Membrane Antigen of Plasmodium chabaudi adami Can Prime for an Anamnestic Antibody Response: Implications for Malaria Vaccine Design Academic Article
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A molecular approach in drug development for Alzheimer’s disease Academic Article
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A renaissance of neural networks in drug discovery Academic Article
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A steered molecular dynamics mediated hit discovery for histone deacetylases Academic Article
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Activated-platelet targeting of CD39 as a potential way forward: The quest for efficient antithrombotic therapy without associated bleeding complications Academic Article
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Aggregation-induced emission photosensitizers: from molecular design to photodynamic therapy Academic Article
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Aldose reductase structures: implications for mechanism and inhibition Academic Article
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Antimalarial activity of novel 4-cyano-3-methylisoquinoline inhibitors against Plasmodium falciparum: design, synthesis and biological evaluation Academic Article
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Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA Academic Article
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Approaches to Selective Peptidic Inhibitors of Factor Xa Academic Article
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Are reactive oxygen species still the basis for diabetic complications? Academic Article
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Aromatic Anchor at an Invariant Hormone-Receptor Interface FUNCTION OF INSULIN RESIDUE B24 WITH APPLICATION TO PROTEIN DESIGN Academic Article
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Binding Inhibitors of the Bacterial Sliding Clamp by Design Academic Article
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Can cyclic HIV protease inhibitors bind in a non-preferred form? An ab initio, DFT and MM-PB(GB)SA study Academic Article
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Characterisation of dihydrodipicolinate synthase (DHDPS) from Bacillus anthracis Academic Article
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Conformational changes in serpins: II. the mechanism of activation of antithrombin by heparin Academic Article
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Conotoxins Containing Nonnatural Backbone Spacers: Cladistic-Based Design, Chemical Synthesis, and Improved Analgesic Activity Academic Article
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Copper Complexes in Cancer Therapy Chapter
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Current and future antiplatelet therapies: emphasis on preserving haemostasis Academic Article
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De-Novo Designed Library of Benzoylureas as Inhibitors of BCL-XL: Synthesis, Structural and Biochemical Characterization Academic Article
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Design, synthesis and binding properties of a fluorescent α₉β₁/α₄β₁ integrin antagonist and its application as an in vivo probe for bone marrow haemopoietic stem cells Academic Article
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Design, synthesis, and DNA sequence selectivity of formaldehyde-mediated DNA-adducts of the novel N-(4-aminobutyl) acridine-4-carboxamide Academic Article
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Functional and Structural Characteristics of NY-ESO-1-related HLA A2-restricted Epitopes and the Design of a Novel Immunogenic Analogue Academic Article
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GPIIb/IIIa inhibitors: From bench to bedside and back to bench again Academic Article
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Global Trends in Hybrid Imaging Academic Article
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Identifying targets for drug discovery using bioinformatics Academic Article
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Influence of Sulfobutylether-β-Cyclodextrin on the Stability of S- and Romeprazole Academic Article
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Inhibiting Protein-Protein Interactions as an Emerging Paradigm for Drug Discovery Academic Article
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Mitochondria-Targeted Chemotherapeutics: The Rational Design of Gold(I)N-Heterocyclic Carbene Complexes That Are Selectively Toxic to Cancer Cells and Target Protein Selenols in Preference to Thiols Academic Article
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Modelling blood–brain barrier partitioning using Bayesian neural nets Academic Article
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Molecular Structural Characteristics of Estrogen Receptor Modulators as Determinants of Estrogen Receptor Selectivity Academic Article
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Molecular prospecting for drugs from the sea Academic Article
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N-terminally extended analogues of the K+ channel toxin from Stichodactyla helianthus as potent and selective blockers of the voltage-gated potassium channel Kv1.3 Academic Article
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Network models in drug discovery and regenerative medicine Book
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Neural Networks as Robust Tools in Drug Lead Discovery and Development Academic Article
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Nonclassical Phenyl Bioisosteres as effective replacements in a series of novel open-source Antimalarials Academic Article
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Peptide inhibitors of the malaria surface protein, apical membrane antigen 1: Identification of key binding residues Academic Article
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Performance of Deep and Shallow Neural Networks, the Universal Approximation Theorem, Activity Cliffs, and QSAR Academic Article
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Porphyromonas gingivalis proteinases as virulence factors in the development of periodontitis Academic Article
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Positron emission tomography: Radioisotope and radiopharmaceutical production Academic Article
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Potential therapeutic targets and the role of technology in developing novel antileishmanial drugs Academic Article
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Predicting the Complex Phase Behavior of Self-Assembling Drug Delivery Nanoparticles Academic Article
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Protein Disulphide Isomerases: emerging roles of PDI and ERp57 in the nervous system and as therapeutic targets for ALS Academic Article
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QSAR without Borders Academic Article
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Quantitative Structure-Retention-Pharmacokinetic Relationship Studies Academic Article
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Recent progress in therapeutic strategies for microglia-mediated neuroinflammation in neuropathologies Academic Article
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Robust QSAR Models Using Bayesian Regularized Neural Networks Academic Article
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Sorbitol Dehydrogenase: Structure, Function and Ligand Design Academic Article
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Sparse QSAR modelling methods for therapeutic and regenerative medicine Academic Article
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Structural resolution of a tandem hormone-binding element in the insulin receptor and its implications for design of peptide agonists Academic Article
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Structure guided design of biotin protein ligase inhibitors for antibiotic discovery Academic Article
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Structure of human aldose reductase holoenzyme in complex with Statil: An approach to structure-based inhibitor design of the enzyme Academic Article
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Structure of theAcinetobacter baumanniiDithiol Oxidase DsbA Bound to Elongation Factor EF-Tu Reveals a Novel Protein Interaction Site Academic Article
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Structure-based design of inhibitors of human l-xylulose reductase modelled into the active site of the enzyme Academic Article
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Structure-based design of inhibitors of the rice blast fungal enzyme trihydroxynaphthalene reductase Academic Article
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Structure-based drug design to augment hit discovery Academic Article
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Structure-guided design of a novel class of benzyl-sulfonate inhibitors for influenza virus neuraminidase Academic Article
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Structure-guided design of a selective BCL-XL inhibitor Academic Article
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Structure/Function Relationships of Apolipoprotein A-I Mimetic Peptides Academic Article
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Substrate-mediated Stabilization of a Tetrameric Drug Target Reveals Achilles Heel in Anthrax Academic Article
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Subversion of the Bcl-2 Life/Death Switch in Cancer Development and Therapy Conference Paper
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Synthesis and Cytotoxic Activity of 7-Oxo-7H-dibenz[f,ij]isoquinoline and 7-Oxo-7H-benzo[e]perimidine Derivatives Academic Article
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Synthesis and Preliminary Screening of Novel Tryptamines as 5-HT4 Receptor Ligands Academic Article
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Synthesis and biological evaluation of phenanthrene-derived carboxamides as cytotoxic agents Academic Article
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Synthesis and effects of conjugated tocopherol analogues on peptide nucleic acid hybridisation Academic Article
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Synthesis of polyamine-linked bis-daunomycin hydrazones and their interaction with DNA Academic Article
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Systematic discovery of multicomponent therapeutics Academic Article
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Targeting BCL-2 to enhance vulnerability to therapy in estrogen receptor-positive breast cancer Academic Article
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Targeting virulence not viability in the search for future antibacterials Academic Article
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Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with fidarestat and minalrestat: Implications for the binding of cyclic imide inhibitors Academic Article
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Unexpected involvement of staple leads to redesign of selective bicyclic peptide inhibitor of Grb7 Academic Article
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Using Bioinformatics Techniques for Gene Identification in Drug Discovery and Development Academic Article
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Vascular rho kinases and their potential therapeutic applications Academic Article