W. Pitt

发表

Atomic Interactions and Profile of Small Molecules Disrupting Protein–Protein Interfaces: the TIMBAL Database

Alicia P. Higueruelo, T. Blundell, G. R. Bickerton, 2009, Chemical biology & drug design.

Selecting Screening Candidates for Kinase and G Protein-Coupled Receptor Targets Using Neural Networks

Martyn G. Ford, David C. Whitley, Emanuela Gancia, 2002, J. Chem. Inf. Comput. Sci..

Structural interactomics: informatics approaches to aid the interpretation of genetic variation and the development of novel therapeutics.

Alicia P. Higueruelo, T. Blundell, G. R. Bickerton, 2009, Molecular bioSystems.

Identification of novel fragment compounds targeted against the pY pocket of v‐Src SH2 by computational and NMR screening and thermodynamic evaluation

W. Pitt, Mark A. Williams, J. Ladbury, 2007, Proteins.

The thermodynamics of protein-ligand interaction and solvation: insights for ligand design.

Tjelvar S. G. Olsson, W. Pitt, Mark A. Williams, 2008, Journal of molecular biology.

Selecting Screening Candidates for Kinase and G Protein‐Coupled Receptor Targets Using Neural Networks.

D. Manallack, D. Livingstone, W. Pitt, 2002 .

What Can We Learn from the Evolution of Protein-Ligand Interactions to Aid the Design of New Therapeutics?

Alicia P. Higueruelo, T. Blundell, G. R. Bickerton, 2012, PloS one.

Arpeggio: A Web Server for Calculating and Visualising Interatomic Interactions in Protein Structures

Alicia P. Higueruelo, T. Blundell, W. Pitt, 2017, Journal of molecular biology.

Modelling of solvent positions around polar groups in proteins.

W R Pitt, W. Pitt, J. Goodfellow, 1991, Protein engineering.

On the Origins of Enzyme Inhibitor Selectivity and Promiscuity: A Case Study of Protein Kinase Binding to Staurosporine

Tom L Blundell, Duangrudee Tanramluk, Adrian Schreyer, 2009, Chemical biology & drug design.

Identifying Interactions that Determine Fragment Binding at Protein Hotspots.

Tjelvar S. G. Olsson, Tom L Blundell, Colin R Groom, 2016, Journal of medicinal chemistry.

Biophysical and computational fragment-based approaches to targeting protein–protein interactions: applications in structure-guided drug discovery

Tom L. Blundell, Alicia P. Higueruelo, Anja Winter, 2012, Quarterly Reviews of Biophysics.

Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 1: Application to Phenols and Carboxylic Acids.

Emanuela Gancia, Benjamin G Tehan, David T. Manallack, 2002 .

Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 2: Application to Amines, Anilines and Various Nitrogen Containing Heterocyclic Compounds.

Emanuela Gancia, Benjamin G Tehan, David T. Manallack, 2002 .

Heteroaromatic rings of the future.

W. Pitt, C. Groom, D. Parry, 2009, Journal of medicinal chemistry.

Arylsulphonyl hydroxamic acids: potent and selective matrix metalloproteinase inhibitors.

D. Manallack, W. Pitt, J. Montana, 2001, Bioorganic & medicinal chemistry letters.

A novel series of potent and selective IKK2 inhibitors.

W. Pitt, D. Owen, D. Parry, 2004, Bioorganic & Medicinal Chemistry Letters.

New methods for the analysis of the protein-solvent interface

W. Pitt, Mark A. Williams, J. Goodfellow, 1995 .

Synthesis and SAR of aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors.

T. Ceska, W. Pitt, A. Platt, 2007, Bioorganic & medicinal chemistry letters.

Quinazolinethiones and quinazolinediones, novel inhibitors of inosine monophosphate dehydrogenase: synthesis and initial structure-activity relationships.

N. C. Ray, H. Dyke, W. Pitt, 2005, Bioorganic & medicinal chemistry letters.

Novel 7-methoxy-6-oxazol-5-yl-2,3-dihydro-1H-quinazolin-4-ones as IMPDH inhibitors.

N. C. Ray, H. Dyke, W. Pitt, 2005, Bioorganic & medicinal chemistry letters.

Annular tautomerism: experimental observations and quantum mechanics calculations

William R. Pitt, Adrian Schreyer, Aurora J. Cruz-Cabeza, 2010, J. Comput. Aided Mol. Des..

Synthesis and structure-activity relationship of aminopyrimidine IKK2 inhibitors.

W. Pitt, D. Owen, D. Parry, 2008, Bioorganic & medicinal chemistry letters.

IRAK-4 inhibitors. Part 1: a series of amides.

Alicia P. Higueruelo, W. Pitt, D. Parry, 2008, Bioorganic & medicinal chemistry letters.

Metabolism by aldehyde oxidase: drug design and complementary approaches to challenges in drug discovery.

W. Pitt, Lloyd King, F. Lecomte, 2019, Journal of medicinal chemistry.

Database Searching for Thymidine and Thymidylate Kinase Inhibitors Using Three-dimensional Structure-based Methods

M. Delarue, D. Manallack, E. De Clercq, 2002, Journal of enzyme inhibition and medicinal chemistry.

The Bioinformatics Template Library—generic Components for Biocomputing

Mark A. Williams, David S. Moss, Alan J. Bleasby, 2001 .

Polyphony: superposition independent methods for ensemble-based drug discovery

Tom L. Blundell, William R. Pitt, Rinaldo W. Montalvão, 2014, BMC Bioinformatics.

IRAK-4 inhibitors. Part III: a series of imidazo[1,2-a]pyridines.

Alicia P. Higueruelo, W. Pitt, D. Parry, 2008, Bioorganic & medicinal chemistry letters.

Structure-based virtual screening for novel ligands.

Richard D. Taylor, Matt A. King, James P Turner, 2013, Methods in molecular biology.

IRAK-4 inhibitors. Part II: a structure-based assessment of imidazo[1,2-a]pyridine binding.

Alicia P. Higueruelo, Kerry Jenkins, Colin R Groom, 2008, Bioorganic & medicinal chemistry letters.

A Consensus Neural Network-Based Technique for Discriminating Soluble and Poorly Soluble Compounds

Brian D. Hudson, Martyn G. Ford, David C. Whitley, 2003, J. Chem. Inf. Comput. Sci..

Discovery of a Potent, Orally Bioavailable PI4KIIIβ Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo.

S. Steinbacher, T. Ceska, W. Pitt, 2018, Journal of medicinal chemistry.

AQUARIUS2: Knowledge‐based modeling of solvent sites around proteins

William R. Pitt, Julia M. Goodfellow, Judith Murray-Rust, 1993, J. Comput. Chem..

Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships.

W. Pitt, A. Ratcliffe, A. F. Haughan, 2006, Bioorganic & medicinal chemistry letters.

Low molecular weight indole fragments as IMPDH inhibitors.

W. Pitt, A. Ratcliffe, A. F. Haughan, 2006, Bioorganic & medicinal chemistry letters.

Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-dihydro-2H-benzo[1,4]oxazines.

T. Ceska, W. Pitt, H. Lightfoot, 2008, Bioorganic & medicinal chemistry letters.

Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design

Jason C Cole, David R Spring, Richard A. Sykes, 2020, J. Chem. Inf. Model..

Selecting compounds for focused screening using linear discriminant analysis and artificial neural networks.

M G Ford, W R Pitt, D C Whitley, 2004, Journal of molecular graphics & modelling.

Biophysical and computational fragment-based approaches to targeting protein–protein interactions: applications in structure-guided drug discovery

Alicia P. Higueruelo, T. Blundell, W. Pitt, 2012, Quarterly Reviews of Biophysics.

The thermodynamics of protein-ligand interaction and solvation: insights for ligand design.

Tjelvar S. G. Olsson, W. Pitt, Mark A. Williams, 2008, Journal of molecular biology.

Heteroaromatic rings of the future.

W. Pitt, C. Groom, D. Parry, 2009, Journal of medicinal chemistry.

Exploring Virtual Scaffold Spaces

William R. Pitt, Boris Kroeplien, W. Pitt, 2013 .

Fragment-Based Methods for Lead Discovery

Nikolay P. Todorov, N. P. Todorov, Alicia P. Higueruelo, 2011 .