| Work |
Au. RW Strange, Au. CW Yong (STFC), Au. W Smith (STFC), Au. SS Hasnain
Molecular dynamics using atomic-resolution structure reveal structural fluctuations that may lead to polymerization of human Cu-Zn superoxide dismutase
Proc Natl Acad Sci 104 (24) 10040-10044 (2007) [doi:10.1073/pnas.0703857104]
CCLRC SRS CSE CSE-CCG |
Pr.Au. CW Yong (STFC Daresbury Lab.), Au. C Washington (AstraZeneca), Au. W Smith (STFC Daresbury Lab.)
Structural behaviour of 2-hydroxypropyl-b-cyclodextrin in water : molecular dynamics simulation studies
Pharmaceutical Research 25 (5) 1092-1099 (2007) [doi:10.1007/s11095-007-9506-y]
STFC |
Au. CW Yong, Au. W Smith (STFC), Au. A Dhir, Au. K Kendall
Transition from elastic to plastic deformation as asperity contact size is increased
Tribology Letters 26 (3) 235-238 (2007) [doi:10.1007/s11249-007-9199-8]
CCLRC CSE CSE-CCG |
Au. CW Yong, Au. W Smith, Au. RW Strange, Au. SS Hasnain
Structural investigation of human wild-type Cu, Zn superoxide dismutase - a biomolecular case study using DL_POLY_3
Mol Simul 32 963-969 (2006) [doi:10.1080/08927020600851720]
CCLRC SRS CSE CSE-CCG |
Au. K Kendall (Birmingham U.), Au. CW Yong (STFC Daresbury Lab.), Au. W Smith (STFC Daresbury Lab.)
Adhesion modelling by molecular dynamics
27th Annual Meeting of Adhesion Society, Wilmington, USA, 15-18 Feb 2004
CCLRC CSE CSE-CCG |
Au. K Kendall, Au. CW Yong, Au. W Smith (CCLRC)
Particle adhesion at the nanoscale
Journal of Adhesion 80 (1-2) 21-36 (2004) [doi:10.1080/00218460490276731]
CCLRC CSE CSE-CCG |
Au. CW Yong, Au. K Kendall, Au. W Smith (CCLRC)
Atomistic studies of surface adhesions using molecular-dynamics simulations
Phil Trans Math Phys Eng Sci 362 (1822) 1915-1929 (2004) [doi:10.1098/rsta.2004.1423]
CCLRC CSE CSE-CCG |
Au. CW Yong (CCLRC), Au. W Smith (CCLRC), Au. K Kendall
Molecular dynamics simulations of (001) MgO surface contacts: effects of tip structures and surface matching
Nanotechnology 14 829-839 (2003) [doi:10.1088/0957-4484/14/8/301]
CCLRC CSE CSE-CCG |
Au. W Smith, Au. CW Yong, Au. PM Rodger
DL_POLY: Application to molecular simulation
Mol Simul 28 385-471 (2002) [doi:10.1080/08927020290018769]
CCLRC CSE CSE-CCG |
Au. CW Yong, Au. W Smith, Au. K Kendall
Investigation of contact interactions of (001) MgO : molecular dynamics simulations studies
J Mater Chem 12 593-601 (2002) [doi:10.1039/b105631j]
CCLRC CSE CSE-CCG |
Au. CW Yong, Au. W Smith (CCLRC), Au. K Kendall
Surface contact studies of NaCl and TiO2: molecular dynamics simulation studies
J Mater Chem 12 2807-2815 (2002) [doi:10.1039/b202445d]
CCLRC CSE CSE-CCG |
Pr.Au. CW Yong (STFC Daresbury Lab.), Au. J Glab (Liverpool U.), Au. RW Strange (Liverpool U.), Au. W Smith (STFC Daresbury Lab.), Au. SS Hasnain (Liverpool U.), Au. JG Grossman (Liverpool U.)
Assessment of long-term molecular dynamics calculations with experimental information on protein shape from X-ray scattering - SOD1 as a case study
Chem Phys Lett 481 112-117 () [doi:10.1016/j.cplett.2009.09.042]
STFC |
