
The Library
Browse by Warwick Author
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Jump to: Australian Research Council (ARC) | Engineering and Physical Sciences Research Council (EPSRC) | European Union (EU) | Federal High Performance Computing Program (U.S.) | INTAS | Istituto Italiano di Tecnologia (IIT) | Japan. Monbushō | Joint Research Equipment Initiative (JREI) | Leverhulme Trust (LT) | Maersk Olie og Gas | Russian Foundation for Basic Research | Tōhoku Daigaku [Tohoku University) | United States. Air Force. Office of Scientific Research (AFOSR) | University of Birmingham | University of Warwick | University of Warwick. Centre for Scientific Computing | Warwick Research Development Fund
Number of items: 31.
Australian Research Council (ARC)
Raiteri, P., Gale, Julian D., Quigley, David and Rodger, P. Mark (2010) Derivation of an accurate force-field for simulating the growth of calcium carbonate from aqueous solution : a new model for the calcite-water interface. Journal of Physical Chemistry C, Vol.114 (No.13). pp. 5997-6010. doi:10.1021/jp910977a
Engineering and Physical Sciences Research Council (EPSRC)
Xu, Yuanwei and Rodger, P. Mark (2017) MBAR-enhanced lattice Monte Carlo simulation of the effect of helices on membrane protein aggregation. Journal of Computational Physics, 333 . pp. 128-141. doi:10.1016/j.jcp.2016.12.016
Rodger, P. Mark, Cox, S. J., Dove, M. T., Hogg, D. C., Kenny, S. D., Martin, R., Mulheran, P. A., Richards, A, Taylor, C., Metcalf, T., Sinclair , G., Real, A. N., Groenewald, W. and Fakhrkonandeh, A. (2016) The importance of regional e-infrastructure within the national landscape. Regional e-Infrastructure Centres Network (ReICN).
Bano , Anthony M., Rodger , P. Mark and Quigley, David (2014) New insight into the stability of CaCO3 surfaces and nanoparticles via molecular simulation. Langmuir, Volume 30 (Number 25). pp. 7513-7521. doi:10.1021/la501409j
Cosseddu, Salvatore M., Khovanov, I. A., Allen, M. P., Rodger, P. Mark, Luchinsky, Dmitri G. and McClintock, P. V. E. (2013) Dynamics of ions in the selectivity filter of the KcsA channel. European Physical Journal - Special Topics, Volume 222 (Number 10). pp. 2595-2605. doi:10.1140/epjst/e2013-02040-9
Wright, Louise B., Rodger, P. Mark, Walsh, Tiffany R. and Corni, Stefano (2013) First-principles-based force field for the interaction of proteins with Au(100)(5 × 1) : an extension of GolP-CHARMM. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Volume 117 (Number 46). pp. 24292-24306. doi:10.1021/jp4061329
Finney, Aaron R. and Rodger, P. Mark (2011) Applying the Z method to estimate temperatures of melting in structure II clathrate hydrates. Physical Chemistry Chemical Physics, Vol.13 (No.44). pp. 19979-19987. doi:10.1039/c1cp21919g
Freeman, C. L., Harding, J. H., Quigley, David and Rodger, P. Mark (2011) Simulations of ovocleidin-17 binding to calcite surfaces and its implications for eggshell formation. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol.115 (No.16). pp. 8175-8183. doi:10.1021/jp200145m
Quigley, David, Freeman, C. L., Harding, J. H. and Rodger, P. Mark (2011) Sampling the structure of calcium carbonate nanoparticles with metadynamics. The Journal of Chemical Physics, Vol.134 (No.4). 044703. doi:10.1063/1.3530288
Raiteri, P., Gale, Julian D., Quigley, David and Rodger, P. Mark (2010) Derivation of an accurate force-field for simulating the growth of calcium carbonate from aqueous solution : a new model for the calcite-water interface. Journal of Physical Chemistry C, Vol.114 (No.13). pp. 5997-6010. doi:10.1021/jp910977a
Freeman, C. L., Harding, J. H., Quigley, David and Rodger, P. Mark (2010) Structural control of crystal nuclei by an eggshell protein. Angewandte Chemie (International Edition), Vol.49 (No.30). pp. 5135-5137. doi:10.1002/anie.201000679
San-Miguel, Miguel A. and Rodger, P. Mark (2010) Templates for wax deposition? Physical Chemistry Chemical Physics, Vol.12 (No.15). pp. 3887-3894. doi:10.1039/b920945j
Quigley, David, Rodger, P. Mark, Freeman, C. L., Harding, J. H. and Duffy, D. M. (2009) Metadynamics simulations of calcite crystallization on self-assembled monolayers. Journal of Chemical Physics, Vol.131 (No.9). article no. 094703 . doi:10.1063/1.3212092
Yang, Mingjun, Rodger, P. Mark, Harding, John H. and Stipp, S. L. S. (2009) Molecular dynamics simulations of peptides on calcite surface. In: CCP5 Annual Conference on Surfaces and Interfaces, London Sch Econom, London, England, 2008. Published in: Molecular Simulation, Vol.35 (No.7). pp. 547-553. ISSN 0892-7022. doi:10.1080/08927020802627399
San-Miguel, Miguel A., Robinson, Colin and Rodger, P. Mark (2009) Secondary structure simulations of twin-arginine signal peptides in different environments. Molecular Simulation, Vol.35 (No.12-13). pp. 1033-1042. doi:10.1080/08927020902974063
Harding, J. H., Duffy, D. M., Sushko, Maria L., Rodger, P. Mark, Quigley, David and Elliott, J. A. (James A.) (2008) Computational techniques at the organic-inorganic interface in biomineralization. Chemical Reviews, 108 (11). pp. 4823-4854. doi:10.1021/cr078278y
European Union (EU)
Childs, Laura J., Malina, J., Rolfsnes, B. E., Pascu, Mirela, Prieto, M. J., Broome, Mark John, Rodger, P. Mark, Sletten, Einar, Moreno, Virtudes, Rodger, Alison and Hannon, M. J. (2006) A DNA-binding copper(I) metallosupramolecular cylinder that acts as an artificial nuclease. Chemistry : a European journal, Vol.12 (No.18). pp. 4919-4927. doi:10.1002/chem.200600060
Federal High Performance Computing Program (U.S.)
Wright, Louise B., Rodger, P. Mark, Walsh, Tiffany R. and Corni, Stefano (2013) First-principles-based force field for the interaction of proteins with Au(100)(5 × 1) : an extension of GolP-CHARMM. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Volume 117 (Number 46). pp. 24292-24306. doi:10.1021/jp4061329
INTAS
Subbotin, Oleg S., Adamova, Tatiana P., Belosludov, Rodion V., Mizuseki, Hiroshi, Kawazoe, Yoshiyuki, Kudoh, Jun-ichi, Rodger, P. Mark and Belosludov, Vladimir R. (2009) Theoretical study of phase transitions in Kr and Ar clathrate hydrates from structure II to structure I under pressure. Journal of Chemical Physics, Vol.131 (No.11). Article: 114507. doi:10.1063/1.3212965
Istituto Italiano di Tecnologia (IIT)
Wright, Louise B., Rodger, P. Mark, Walsh, Tiffany R. and Corni, Stefano (2013) First-principles-based force field for the interaction of proteins with Au(100)(5 × 1) : an extension of GolP-CHARMM. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Volume 117 (Number 46). pp. 24292-24306. doi:10.1021/jp4061329
Japan. Monbushō
Belosludov, R. V., Subbotin, O. S., Mizuseki, Hiroshi, Rodger, P. Mark, Kawazoe, Y. and Belosludov, V. R. (2008) Crystal-like low frequency phonons in the low-density amorphous and high-density amorphous ices. Journal of Chemical Physics, Vol.129 (No.11). Article: 114507. doi:10.1063/1.2977975
Joint Research Equipment Initiative (JREI)
Harding, J. H., Duffy, D. M., Sushko, Maria L., Rodger, P. Mark, Quigley, David and Elliott, J. A. (James A.) (2008) Computational techniques at the organic-inorganic interface in biomineralization. Chemical Reviews, 108 (11). pp. 4823-4854. doi:10.1021/cr078278y
Leverhulme Trust (LT)
Childs, Laura J., Malina, J., Rolfsnes, B. E., Pascu, Mirela, Prieto, M. J., Broome, Mark John, Rodger, P. Mark, Sletten, Einar, Moreno, Virtudes, Rodger, Alison and Hannon, M. J. (2006) A DNA-binding copper(I) metallosupramolecular cylinder that acts as an artificial nuclease. Chemistry : a European journal, Vol.12 (No.18). pp. 4919-4927. doi:10.1002/chem.200600060
Maersk Olie og Gas
Yang, Mingjun, Rodger, P. Mark, Harding, John H. and Stipp, S. L. S. (2009) Molecular dynamics simulations of peptides on calcite surface. In: CCP5 Annual Conference on Surfaces and Interfaces, London Sch Econom, London, England, 2008. Published in: Molecular Simulation, Vol.35 (No.7). pp. 547-553. ISSN 0892-7022. doi:10.1080/08927020802627399
Russian Foundation for Basic Research
Subbotin, Oleg S., Adamova, Tatiana P., Belosludov, Rodion V., Mizuseki, Hiroshi, Kawazoe, Yoshiyuki, Kudoh, Jun-ichi, Rodger, P. Mark and Belosludov, Vladimir R. (2009) Theoretical study of phase transitions in Kr and Ar clathrate hydrates from structure II to structure I under pressure. Journal of Chemical Physics, Vol.131 (No.11). Article: 114507. doi:10.1063/1.3212965
Tōhoku Daigaku [Tohoku University)
Belosludov, R. V., Subbotin, O. S., Mizuseki, Hiroshi, Rodger, P. Mark, Kawazoe, Y. and Belosludov, V. R. (2008) Crystal-like low frequency phonons in the low-density amorphous and high-density amorphous ices. Journal of Chemical Physics, Vol.129 (No.11). Article: 114507. doi:10.1063/1.2977975
United States. Air Force. Office of Scientific Research (AFOSR)
Wright, Louise B., Rodger, P. Mark, Walsh, Tiffany R. and Corni, Stefano (2013) First-principles-based force field for the interaction of proteins with Au(100)(5 × 1) : an extension of GolP-CHARMM. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Volume 117 (Number 46). pp. 24292-24306. doi:10.1021/jp4061329
University of Birmingham
Quigley, David, Freeman, C. L., Harding, J. H. and Rodger, P. Mark (2011) Sampling the structure of calcium carbonate nanoparticles with metadynamics. The Journal of Chemical Physics, Vol.134 (No.4). 044703. doi:10.1063/1.3530288
University of Warwick
Quigley, David, Freeman, C. L., Harding, J. H. and Rodger, P. Mark (2011) Sampling the structure of calcium carbonate nanoparticles with metadynamics. The Journal of Chemical Physics, Vol.134 (No.4). 044703. doi:10.1063/1.3530288
University of Warwick. Centre for Scientific Computing
Xu, Yuanwei and Rodger, P. Mark (2017) MBAR-enhanced lattice Monte Carlo simulation of the effect of helices on membrane protein aggregation. Journal of Computational Physics, 333 . pp. 128-141. doi:10.1016/j.jcp.2016.12.016
Warwick Research Development Fund
Williams, Jonathan P., Bugarcic, Tijana, Habtemariam, Abraha, Giles, K. (Kevin), Campuzano, Iain, Rodger, P. Mark and Sadler, P. J. (2009) Isomer separation and gas-phase configurations of organoruthenium anticancer complexes : ion mobility mass spectrometry and modeling. Journal of The American Society for Mass Spectrometry, Vol.20 (No.6). pp. 1119-1122. doi:10.1016/j.jasms.2009.02.016
This list was generated on Tue Jun 28 16:03:19 2022 BST.