Dr Richard Sessions

Summary

Molecular Modelling in Biochemistry

Molecular modelling is a very useful tool in the design and interpretation of experiments. This is well recognised in Bristol, where most research groups have used this technique, to a greater or lesser extent.

Molecular modelling can also be thought of as a subset of Bioinformatics and, as we pass into the "post-genomic sequence era", this field will play an ever more important role in scientific research.

Computer hardware advances continue to follow Moore’s law, formulated in the 1960s, which states that machine speed’s roughly double every 18 months. This is allowing the application of evermore sophisticated modelling techniques to routine problems. The following molecular modelling techniques and projects are actively pursued in the School of Biochemistry:

• homology modelling
• ligand/drug design
• mutant design
• molecular mechanics/dynamics
• semi-empirical molecular orbital calculations
• protein structure prediction.

More information about my research.

More information about the Bristol University Docking Engine (BUDE).

Teaching

Biophysics and Molecular Life Sciences II

MSc Core Skills

Expertise

Molecular Modelling in Biochemistry. Molecular modelling is a very useful tool in the design and interpretation of experiments. This is well recognised in Bristol, where most research groups have used this technique, to a greater or lesser extent. Molecular modelling can also be thought of as a subset of Bioinformatics and, as we pass into the "post-genomic sequence era", this field will play an ever more important role in scientific research. Computer hardware advances continue to follow Moore?s law, formulated in the 1960?s, which states that machine speed?s roughly double every 18 months. This is allowing the application of evermore sophisticated modelling techniques to routine problems. The following molecular modelling techniques and projects are actively pursued in this department: homology modelling; ligand/drug design; mutant design; molecular mechanics/dynamics; semi-empirical molecular orbital calculations; protein structure prediction.

Memberships

Organisations

School of Biochemistry

Other sites

• Biochemistry

Recent publications

• Landin, E, Lovera, S, Fabritiis, Gd, Kelm, S, Mercier, J, McMillan, D, Sessions, R, Taylor, RJ, Sands, Z, Joedicke, L & Crump, M, 2019, ‘The Aminotriazole Antagonist Cmpd-1 Stabilises a Novel Inactive State of the Adenosine 2A Receptor’. Angewandte Chemie - International Edition, vol 58., pp. 9399-9403
• Shoemark, DK, Ibarra, AA, Ross, JF, Beesley, JL, Bray, HE, Mosayebi, M, Linden, N, Liverpool, TB, McIntosh-Smith, SN, Woolfson, DN & Sessions, RB, 2019, ‘The dynamical interplay between a megadalton peptide nanocage and solutes probed by microsecond atomistic MD; Implications for design’. Physical Chemistry Chemical Physics, vol 21., pp. 137-147
• Small, LS, Zuckermann, MJ, Sessions, R, Curmi, PMG, Linke, H, Forde, NR & Bromley, EHC, 2019, ‘The bar-hinge motor: a synthetic protein design exploiting conformational switching to achieve directional motility’. New Journal of Physics, vol 21.
• Oliveira, ASF, Shoemark, DK, Campello, HR, Wonnacott, S, Gallagher, T, Sessions, RB & Mulholland, AJ, 2019, ‘Identification of the Initial Steps in Signal Transduction in the α4β2 Nicotinic Receptor: Insights from Equilibrium and Nonequilibrium Simulations’. Structure, vol 27., pp. 1171-1183.e3
• Smith, S, Sessions, R, Shoemark, D, Williams, C, Ebrahimighaei, R, McNeill, M, Crump, M, McKay, TR, Harris, G, Newby, A & Bond, M, 2019, ‘Anti-proliferative and anti-migratory effects of a novel YAP-TEAD interaction inhibitor identified using in silico molecular docking’. Journal of Medicinal Chemistry, vol 62., pp. 1291-1305
• Lalaurie, CJ, Dufour, V, Meletiou, A, Ratcliffe, S, Harland, A, Wilson, O, Vamasiri, C, Shoemark, DK, Williams, C, Arthur, CJ, Sessions, RB, Crump, MP, Anderson, JL & Curnow, P, 2018, ‘The de novo design of a biocompatible and functional integral membrane protein using minimal sequence complexity’. Scientific Reports, vol 8.
• Campello, HR, Villar, SGD, Honraedt, A, Viñas, TM, Oliveira, S, Ranaghan, K, Shoemark, D, Bermudez, I, Gotti, C, Sessions, R, Mulholland, A, Wonnacott, S & Gallagher, T, 2018, ‘Unlocking Nicotinic Selectivity via Direct C‒H Functionalization of ()-Cytisine’. Chem, vol 4., pp. 1710-1725
• Pérez, B, Coletta, A, Pedersen, JN, Petersen, SV, Periole, X, Pedersen, JS, Sessions, RB, Guo, Z, Perriman, A & Schiøtt, B, 2018, ‘Insight into the molecular mechanism behind PEG-mediated stabilization of biofluid lipases’. Scientific Reports, vol 8.
• Andreae, C, Sessions, R, Virji, M & Hill, D, 2018, ‘Bioinformatic analysis of meningococcal Msf and Opc to inform vaccine antigen design’. PLoS ONE, vol 13.
• McNaughton, E, Eustace, A, King, S, Sessions, R, Kay, A, Farris, M, Kehoe, O, Kung, A & Middleton, J, 2018, ‘Novel anti-inflammatory peptides based on chemokine – glycosaminoglycan interactions reduce leukocyte migration and disease severity in a model of rheumatoid arthritis’. Journal of Immunology, vol 200., pp. 3201-3217

View complete publications list in the University of Bristol publications system