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	1.	Massively Multicore Parallelization of Kohn-Sham Theory. [electronic resource] by Brown, Philip Woods, Christopher McIntosh-Smith, Simon Manby, Frederick R Producer: 20151202 In: Journal of chemical theory and computation vol. 4 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Adaptive free energy sampling in multidimensional collective variable space using boxed molecular dynamics. [electronic resource] by O'Connor, Mike Paci, Emanuele McIntosh-Smith, Simon Glowacki, David R Producer: 20180718 In: Faraday discussions vol. 195 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	A massively multicore parallelization of the Kohn-Sham energy gradients. [electronic resource] by Brown, Philip Woods, Christopher J McIntosh-Smith, Simon Manby, Frederick R Producer: 20100909 In: Journal of computational chemistry vol. 31 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	High performance [electronic resource] by McIntosh-Smith, Simon Price, James Sessions, Richard B Ibarra, Amaurys A Publication details: The international journal of high performance computing applications May 2015 In: The international journal of high performance computing applications vol. 29 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Elfin: An algorithm for the computational design of custom three-dimensional structures from modular repeat protein building blocks. [electronic resource] by Yeh, Chun-Ting Brunette, T J Baker, David McIntosh-Smith, Simon Parmeggiani, Fabio Producer: 20190930 In: Journal of structural biology vol. 201 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Analysis and assay of oseltamivir-resistant mutants of influenza neuraminidase via direct observation of drug unbinding and rebinding in simulation. [electronic resource] by Woods, Christopher J Malaisree, Maturos Long, Benjamin McIntosh-Smith, Simon Mulholland, Adrian J Producer: 20140108 In: Biochemistry vol. 52 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Computational assay of H7N9 influenza neuraminidase reveals R292K mutation reduces drug binding affinity. [electronic resource] by Woods, Christopher J Malaisree, Maturos Long, Ben McIntosh-Smith, Simon Mulholland, Adrian J Producer: 20141010 In: Scientific reports vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Rapid decomposition and visualisation of protein-ligand binding free energies by residue and by water. [electronic resource] by Woods, Christopher J Malaisree, Maturos Michel, Julien Long, Ben McIntosh-Smith, Simon Mulholland, Adrian J Producer: 20150604 In: Faraday discussions vol. 169 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors. [electronic resource] by Glowacki, David R O'Connor, Michael Calabró, Gaetano Price, James Tew, Philip Mitchell, Thomas Hyde, Joseph Tew, David P Coughtrie, David J McIntosh-Smith, Simon Producer: 20150604 In: Faraday discussions vol. 169 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model. [electronic resource] by Sisto, Aaron Stross, Clem van der Kamp, Marc W O'Connor, Michael McIntosh-Smith, Simon Johnson, Graham T Hohenstein, Edward G Manby, Fred R Glowacki, David R Martinez, Todd J Producer: 20180202 In: Physical chemistry chemical physics : PCCP vol. 19 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	The dynamical interplay between a megadalton peptide nanocage and solutes probed by microsecond atomistic MD; implications for design. [electronic resource] by Shoemark, Deborah K Avila Ibarra, Amaurys Ross, James F Beesley, Joseph L Bray, Harriet E V Mosayebi, Majid Linden, Noah Liverpool, Tanniemola B McIntosh-Smith, Simon N Woolfson, Derek N Sessions, Richard B Producer: 20181219 In: Physical chemistry chemical physics : PCCP vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)