Using indicators to measure sustainability performance at a corporate and project level

JJ Keeble, S Topiol, S Berkeley - Journal of Business Ethics, 2003 - Springer
… Simon’s specialisation is the implementation of change programmes in large, complex …
Little’s experiences in developing sustainability indicators and exploring two case studies where …

X-ray structure breakthroughs in the GPCR transmembrane region

S Topiol, M Sabio - Biochemical pharmacology, 2009 - Elsevier
G-protein-coupled receptor (GPCR) proteins [Lundstrom KH, Chiu ML, editors. G protein-coupled
receptors in drug discovery. CRC Press; 2006] are the single largest drug target, …

Use of the X-ray structure of the β2-adrenergic receptor for drug discovery. Part 2: Identification of active compounds

M Sabio, K Jones, S Topiol - Bioorganic & medicinal chemistry letters, 2008 - Elsevier
… 1b), we see that both the hydroxyl and amino groups of Corazolol’s alkylamine form hydrogen
bonds with both Asp113 and Asn312. The nitrogen atom of Corazolol’s carbazole moiety …

Structural and conformational requirements for high-affinity binding to the SH2 domain of Grb2

…, JM Rondeau, M Sabio, S Topiol… - Journal of medicinal …, 1999 - ACS Publications
… The Src homology (SH2) domain of Grb2 binds preferentially to phosphotyrosines (Y*s) with
the sequence motif Y*XNX. The two SH3 domains of Grb2 bind to Sos, which catalyzes GTP/…

Current and future challenges in GPCR drug discovery

S Topiol - Computational Methods for GPCR Drug Discovery, 2018 - Springer
… The details of the orthosteric ligand ’s binding, including the involvement of residues from
the extracellular loops, were seen in these first examples as well as in various functional …

An investigation of tautomerism in adenine and guanine

M Sabio, S Topiol, WC Lumma - Journal of Physical Chemistry, 1990 - ACS Publications
… The largest differences in relative energies and dipole moments of our AMI geometry
optimizations from the correspondingvalues of Norinder’s study are 0.3 kcal/mol and 0.31 D, …

A general criterion for molecular recognition: implications for chiral interactions

S Topiol - Chirality, 1989 - Wiley Online Library
A general criterion is formulated for molecular recognition. The criterion for recognition is
the ineqality of the distance matrices of complexes of different compounds with a resolving …

Use of the X-ray structure of the Beta2-adrenergic receptor for drug discovery

S Topiol, M Sabio - Bioorganic & medicinal chemistry letters, 2008 - Elsevier
… We explore the utility of the Beta2-adrenergic receptor’s X-ray structure in drug design
including high-throughput docking. Results validate the approach and project its usefulness in …

Homology modeling of the serotonin transporter: insights into the primary escitalopram‐binding site

…, L Tagmose, AMM Jørgensen, S Topiol… - ChemMedChem …, 2007 - Wiley Online Library
… Well-known examples of SSRIs on the market are escitalopram (S-citalopram, also an
allosteric serotonin reuptake inhibitor (ASRI);1 trade names Cipralex, Lexapro), fluoxetine, …

X-ray structural information of GPCRs in drug design: what are the limitations and where do we go?

S Topiol - Expert opinion on drug discovery, 2013 - Taylor & Francis
Introduction: In 2007, the X-ray structural determination of non-rhodopsin G-Protein coupled
receptors (GPCRs), considered the most extensively targeted protein class for marketed …