Search Results - "MOLECULAR-DYNAMICS SIMULATIONS"

Folding Pathways for Initiator and Effector Procaspases from Computer Simulations by Piana, Stefano, Taylor, Zoe, Rothlisberger, U.

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Spectral Line Shapes of He I Line 3889 Å by Omar, B., González, M., Gigosos, M., Ramazanov, T., Jelbuldina, M., Dzhumagulova, K., Zammit, Mark, Fursa, Dmitry, Bray, Igor

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Computational studies of DNA structure and recognition by Grindon, Christina Rebecca

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Computing infrared spectra of proteins using the exciton model by Husseini, Fouad S., Robinson, David, Hunt, Neil T., Parker, Anthony W., Hirst, J.D.

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Molecular docking and molecular dynamic simulation of 1,3-Benzoxazine derivatives against penicillin binding protein 2A of methicillin-resistant Staphlyococcus aureus by Alharbi, Nourah Jamaan H

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Molecular dynamics study of methane in water: diffusion and structure by Zhang, J., Piana, Stefano, Freij-Ayoub. R., Rivero, M., Choi, S.

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Pressure-induced unfolding of L1 lipase using molecular dynamics simulations and quantum mechanics calculations by Lim, Wui Zhuan

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NMR Studies of Nucleic Acids as Drug Targets by Gallagher, Cathal T

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The Structure of CaSO4 Nanorods: The Precursor of Gypsum by Stawski, T.M., Van Driessche, A.E.S., Besselink, R., Byrne, Emily, Raiteri, Paolo, Gale, Julian, Benning, L.G.

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A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination by Gale, Julian, Leblanc, L.M., Spackman, Peter, Silvestri, A., Raiteri, Paolo

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A bias-exchange approach to protein folding by Piana, Stefano, Laio, A.

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MD simulation of organics adsorption from aqueous solution in carbon slit-like pores. Foundations of the pore blocking effect by Gauden, P., Terzyk, A., Furmaniak, S., Wloch, J., Kowalczyk, Poitr, Zielinski, W.

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1-Phenyl-1H-tetrazol as corrosion inhibitor for pipeline steel in sulfuric acid solution by Tao, Shiying

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Simulation of Calcium Phosphate Pre-Nucleation Clusters in Aqueous Solution: Association Beyond Ion Pairing by Garcia, Natalya, Innocenti Malini, R., Freeman, C., Demichelis, Raffaella, Raiteri, Paolo, Sommerdijk, N., Harding, J., Gale, Julian

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Atomistic Simulation of Atomic Force Microscopy Imaging of Hydration Layers on Calcite, Dolomite, and Magnesite Surfaces by Reischl, Bernhard, Raiteri, Paolo, Gale, Julian, Rohl, Andrew

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Computational Insights into Mg2+ Dehydration in the Presence of Carbonate by Aufort, Julie, Raiteri, Paolo, Gale, Julian

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Calcite (104) Surface-Electrolyte Structure: A 3D Comparison of Surface X-ray Diffraction and Simulations by Brugman, S.J.T., Raiteri, Paolo, Accordini, P., Megens, F., Gale, Julian, Vlieg, E.

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Current issues in plant cryopreservation and importance for ex situ conservation of threatened Australian native species by Streczynski, Robyn, Clark, Hamish, Whelehan, Lily M., Ang, Sze-Tieng, Hardstaff, Lyndle K., Funnekotter, Bryn, Bunn, Eric, Offord, C.A., Sommerville, K.D., Mancera, Ricardo

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Benzene Internal Energy Distributions Following Spontaneous Evaporation from a Water-Ethanol Solution by Maselli, O., Gascooke, J., Lawrance, W., Buntine, Mark

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Current and emerging therapies for corneal infection: a clinical and laboratory study by Ting, Darren Shu Jeng

Subjects: “…Amniotic membrane; Antimicrobial peptide; Cathelicidin (LL-37); Corneal cross-linking; Corneal ulcer; Corneal infection; Defensin; Host defense peptide; Infectious keratitis; Molecular dynamics simulation; Microbial keratitis…”
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