| DL_POLY: Application to molecular simulation W Smith, CW Yong, PM Rodger Molecular Simulation 28 (5), 385-471, 2002 | 696 | 2002 |
| Understanding gas capacity, guest selectivity, and diffusion in porous liquids RL Greenaway, D Holden, EGB Eden, A Stephenson, CW Yong, ... Chemical Science 8 (4), 2640-2651, 2017 | 132 | 2017 |
| Molecular dynamics using atomic-resolution structure reveal structural fluctuations that may lead to polymerization of human Cu–Zn superoxide dismutase RW Strange, CW Yong, W Smith, SS Hasnain Proceedings of the National Academy of Sciences 104 (24), 10040-10044, 2007 | 87 | 2007 |
| Structural behaviour of 2-hydroxypropyl-β-cyclodextrin in water: Molecular dynamics simulation studies CW Yong, C Washington, W Smith Pharmaceutical research 25, 1092-1099, 2008 | 79 | 2008 |
| Molecular dynamics simulations of particle bombardment induced desorption processes: Alkanethiolates on Au (111) KSS Liu, CW Yong, BJ Garrison, JC Vickerman The Journal of Physical Chemistry B 103 (16), 3195-3205, 1999 | 66 | 1999 |
| Descriptions and implementations of DL_F notation: a natural chemical expression system of atom types for molecular simulations CW Yong Journal of Chemical Information and Modeling 56 (8), 1405-1409, 2016 | 62 | 2016 |
| Magnetic treatment of petroleum and its relation with asphaltene aggregation onset (an atomistic investigation) MH Khalaf, GA Mansoori, CW Yong Journal of Petroleum Science and Engineering 176, 926-933, 2019 | 34 | 2019 |
| Chain orientation in polymer networks: Computer simulations using the bond fluctuation model CW Yong, PG Higgs Macromolecules 32 (15), 5062-5071, 1999 | 31 | 1999 |
| Enzyme catalysis captured using multiple structures from one crystal at varying temperatures S Horrell, D Kekilli, K Sen, RL Owen, FSN Dworkowski, SV Antonyuk, ... IUCrJ 5 (3), 283-292, 2018 | 29 | 2018 |
| Characterization of the theta state and transition curves of off‐lattice three dimensional chains AM Rubio, JJ Freire, JHR Clarke, CW Yong, M Bishop The Journal of chemical physics 102 (5), 2277-2281, 1995 | 29 | 1995 |
| Study of interactions between polymer nanoparticles and cell membranes at atomistic levels CW Yong Philosophical Transactions of the Royal Society B: Biological Sciences 370 …, 2015 | 25 | 2015 |
| DL_FIELD-a force field and model development tool for DL_POLY CW Yong CSE Frontiers 2010, 38-40, 2010 | 25 | 2010 |
| The theta condition for linear polymer chains in continuous space and three dimensions CW Yong, JHR Clarke, JJ Freire, M Bishop The Journal of chemical physics 105 (21), 9666-9673, 1996 | 24 | 1996 |
| Surface contact studies of NaCl and TiO 2: molecular dynamics simulation studies CW Yong, W Smith, K Kendall Journal of Materials Chemistry 12 (9), 2807-2815, 2002 | 23 | 2002 |
| Multiscale QM/MM modelling of catalytic systems with ChemShell Y Lu, K Sen, C Yong, DSD Gunn, JA Purton, J Guan, A Desmoutier, ... Physical Chemistry Chemical Physics 25 (33), 21816-21835, 2023 | 21 | 2023 |
| Molecular dynamics simulations of (001) MgO surface contacts: effects of tip structures and surface matching CW Yong, W Smith, K Kendall Nanotechnology 14 (8), 829, 2003 | 20 | 2003 |
| Particle adhesion at the nanoscale K Kendall, CW Yong, W Smith The Journal of Adhesion 80 (1-2), 21-36, 2004 | 19 | 2004 |
| DL_ANALYSER notation for atomic interactions (DANAI): a natural annotation system for molecular interactions, using ethanoic acid liquid as a test case CW Yong, IT Todorov Molecules 23 (1), 36, 2017 | 18 | 2017 |
| Atomistic studies of surface adhesions using molecular–dynamics simulations CW Yong, K Kendall, W Smith Philosophical Transactions of the Royal Society of London. Series A …, 2004 | 16 | 2004 |
| Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase K Sen, S Horrell, D Kekilli, CW Yong, TW Keal, H Atakisi, DW Moreau, ... IUCrJ 4 (4), 495-505, 2017 | 13 | 2017 |
