Highlights

Romain A. Studer, Pascal-Antoine Christin, Mark A. Williams and Christine A. Orengo (2014). Stability-activity trade-offs constrain the adaptive evolution of RubisCO. Proc. Natl. Acad. Sci. USA 111,2223-2228.

Tjelvar S.G. Olsson, John E. Ladbury, William R. Pitt and Mark A. Williams (2011). The extent of enthalpy-entropy compensation in protein-ligand interactions. Protein Science 20,1607-1618.

Paula C.A. da Fonseca, Eric H. Kong, Ziguo Zhang, Anne Schreiber, Mark A. Williams, Edward P. Morris and David Barford (2011). Structures of APC/C-CDH1 with substrates identify Cdh1 and Apc10 as the D-box co-receptor Nature 470, 274-278..

Matthew J. Cliff, Richard Harris, David Barford, John E. Ladbury and Mark A. Williams (2006). Conformational diversity in the TPR domain mediated interaction of protein phosphatase 5 with Hsp90. Structure 14, 415-426.

Matthew J. Cliff, Mark A. Williams, David Barford, John E. Ladbury (2005). Molecular recognition via coupled folding and binding in a TPR domain. J. Mol. Biol. 346, 717-32.

Mark A. Williams & John E. Ladbury (2004). The extended interface: measuring non-local effects in biomolecular interactions. Curr Opin Struct Biol. 14, 562-9.

Bergqvist S, Williams MA, O'Brien R and Ladbury JE (2004). Heat capacity effects of water molecules and ions at a protein-DNA interface. J. Mol. Biol. 336, 829-842.

Mark A. Williams, Janet M. Thornton and Julia M. Goodfellow (1997). Modelling protein unfolding: hen egg-white lysozyme. Protein Engineering 10, 895-903.

Mark A. Williams, Julia M. Goodfellow & Janet M. Thornton (1994). Buried waters and internal cavities in monomeric proteins. Protein Science 3, 1224-1235.

Publications

2010 -

Doris H.X. Quay, Ambrose R. Cole, Adam Cryar, Konstantinos Thalassinos, Mark A. Williams, Sanjib Bhakta and Nicholas H. Keep (2015). Structure of the stationary phase survival protein YuiC from B. stubtilis. BMC Structural Biology 15:12.

Mark A. Williams (2013). Protein-ligand interactions: Fundamentals. Methods in Molecular Biology 1008, 3-34.

Paul Ashford, David S. Moss, Alexander Alex, Siew K. Yeap, Alice Povia, Irene Nobeli and Mark A. Williams (2012). Visualization of variable binding pockets on protein surfaces by probabilistic analysis of related structure sets. BMC Bioinformatics 13, 39.

Tjelvar S.G. Olsson, John E. Ladbury, William R. Pitt and Mark A. Williams (2011). The extent of enthalpy-entropy compensation in protein-ligand interactions. Protein Science 20,1607-1618.

Mark J. Edwards, Mark A. Williams, Antony J. Maxwell and Adam McKay (2011). Mass spectrometry reveals that the antibiotic simocyclinone D8 binds to DNA gyrase in a "bent-over" conformation: evidence for positive cooperativity in binding. Biochemistry 50, 3432-3440..

Brian Henderson, Sean Nair, Jacky Pallas and Mark A. Williams (2011). Fibronectin: a multidomain host adhesin targeted by bacterial fibronectin-binding proteins. FEMS Microbiology Reviews 35, 147-200.

2005-2009

Sanjay Nilapwar, Eleanor P. Smith, Christopher Fu, Christomos Prodromou, Laurence H. Pearl, Mark A. Williams and John E. Ladbury (2009). Structural-thermodynamics relationships of interactions in the N-terminal ATP binding domain of Hsp90. J. Mol. Biol. 392, 923-936..

Tjelvar S.G. Olsson, Mark A. Williams*, William R. Pitt and John E. Ladbury* (2008). The thermodynamics of protein-ligand interaction and solvation: Insights for ligand design. J. Mol. Biol. 384, 1002-1017.

Jonathan D. Taylor, Abdesamad Ababou, Radwan R. Fawaz, Christopher J. Hobbs, Mark A. Williams and John E. Ladbury (2008). Structure, dynamics and binding thermodynamics of v-Src SH2 domain: Implications for drug design. Proteins Struct. Funct. Bioinformatics. 73, 929-40.

Jonathan D. Taylor, Philip J. Gilbert, Mark A. Williams, Will R. Pitt and John E. Ladbury (2007). Identification and thermodynamic analysis of novel small molecules targeted against the pY pocket of the Src SH2 domain. Proteins Struct. Funct. Bioinformatics. 67, 981-990.

John E. Ladbury and Mark A. Williams (2007). Application of isothermal titration calorimetry in exploring the extending interface. In Protein Interactions: Biophysical Approaches for the Study of Multi-Component Systems editor P Schuck, Springer, New York.

Matthew J. Cliff, Richard Harris, David Barford, John E. Ladbury* and Mark A. Williams* (2006). Conformational diversity in the TPR domain mediated interaction of protein phosphatase 5 with Hsp90. Structure 14, 415-426.

Matthew J. Cliff, Mark A. Williams, David Barford, John E. Ladbury (2005). Molecular recognition via coupled folding and binding in a TPR domain. J. Mol. Biol. 346, 717-32.

Jonathan T. Taylor, Radwan R. Fawaz, Abdesamad Ababou, Mark A. Williams and John E. Ladbury (2005). Letter to the editor: NMR assignment of the apo and peptide bound SH2 domain from the Rous sarcoma viral protein Src. J. Biomol. NMR 32, 339.

Yang J, Mark S. Roe, Matthew J. Cliff, Mark A. Williams, John E. Ladbury, Patricia T. W. Cohen and David Barford (2005). Molecular basis for TPR domain-mediated regulation of protein phosphatase 5. EMBO J. 24, 1-10.

Zamal Ahmed, Carol A. Beeton, Mark A. Williams, Daniel Clements, Cosima T. Baldari and John E. Ladbury (2005). Distinct spatial and temporal distribution of ZAP70 and Lck following stimulation of interferon and T-cell receptors. J. Mol. Biol. 353, 1001-1010.

2000-2004

Bergqvist S, Williams MA, O'Brien R and Ladbury JE (2004). Heat capacity effects of water molecules and ions at a protein-DNA interface. J. Mol. Biol. 336, 829-842.

Jens P. Linge, Mark A. Williams, Christian A.E.M. Spronk, Alexandre M. Bonvin and Michael Nilges (2003). Refinement of protein structures in explicit solvent. Proteins: Struct. Funct. Gen. 50, 496-506.

Mark A. Williams* & John E. Ladbury* (2004). The extended interface: measuring non-local effects in biomolecular interactions. Curr Opin Struct Biol. 14, 562-9.

Mark A. Williams* and John E. Ladbury* (2003). Hydrogen bonds in protein-ligand complexes. In Molecular Recognition in Protein-Ligand Interactions ed. H-J Boehm & G Schneider, John Wiley-VCH, New York.

Reza M. Salek, Mark A. Williams, Christomos Prodromou, Laurence H. Pearl and John E. Ladbury (2002). Letter to the editor: Backbone assignment of the 25kD N-terminal ATPase domain from the Hsp90 molecular chaperone. J. Biomol NMR. 23, 327-328.

Simon Bergqvist, Mark A. Williams, Ronan O'Brien and John E. Ladbury (2003). Halophilic adaptation of protein-DNA interactions. Biochem. Soc. Trans. 31, 677-680.

Simon Bergqvist, Mark A. Williams, Ronan O'Brien and John E. Ladbury (2002). Reversal of protein halophilicity by limited mutation strategy. Structure 10, 629-637.

Mark A. Williams, Bruce R. Westley, Felicity E.B. May and James Feeney (2001). The solution structure of the disulphide-linked homodimer of the human trefoil protein TFF1. FEBS Lett. 493, 70-74.

Will R. Pitt, Mark A. Williams*, Mary Steven, Breen Sweeney, Alan J Bleasby & David S. Moss* (2001). The Bioinformatics Template Library - generic components for biocomputing. Bioinformatics 17, 729-737.

Before 2000

Vladimir I. Polshakov, Mark A. Williams, Angelo R. Gargaro, Tom A. Frenkiel, Bruce R. Westley, Mark P. Chadwick MP, Felicity E.B. May and James Feeney (1997). High-resolution solution structure of human pNR-2/pS2: a single trefoil motif protein. J. Mol. Biol. 267, 418-432.

Mark A. Williams, Janet M. Thornton and Julia M. Goodfellow (1997). Modelling protein unfolding: hen egg-white lysozyme. Protein Engineering 10, 895-903.

Julia M. Goodfellow, Michael Knaggs, Mark A. Williams and Janet M. Thornton (1996). Modelling protein unfolding: a solvent insertion protocol. Faraday Discussions 103, 339-347.

Alan J. Beveridge, Mark A. Williams and terence C. Jenkins (1996). Calculation of one-electron reduction potentials for nitroheterocyclic hypoxia-selective agents. J. Chem. Soc., Faraday Transactions 92, 763-768.

Micheal Knaggs, Mark A. Williams and Julia M. Goodfellow (1995). Protein hydration, stability and unfolding. Biochem. Soc. Trans. 23, 711-715.

Julia M. Goodfellow JM, Will R. Pitt, Oliver S. Smart and Mark A. Williams (1995). New methods for the analysis of the protein-solvent interface. Computer Physics Communications 91, 321-329.

Julia M. Goodfellow and Mark A. Williams (1994). Introduction to computer simulation: methods and applications. In Computer Simulation in Biology ed. JM Goodfellow, VCH, Weinheim.

Mark A. Williams, Julia M. Goodfellow & Janet M. Thornton (1994). Buried waters and internal cavities in monomeric proteins. Protein Science 3, 1224-1235.

Julia M. Goodfellow and Mark A. Williams (1992). Molecular dynamics. Current Opinion in Structural Biology 2, 211-216.

Mark A. Williams, Mansoor A.S. Saqi and Julia M. Goodfellow (1990). Applications of free energy calculations. In Molecular Dynamics ed JM Goodfellow, MacMillan Press, London.

Book

Protein-ligand interactions: Methods and applications 2nd ed., Springer, New York, 2013
Mark A. Williams & Tina Daviter (editors)