subject area of

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