A review of methods for the calculation of solution free energies and the modelling of systems in solution von Skyner, R. E, McDonagh, J. L, Groom, C. R, van Mourik, T, Mitchell, J. B. O

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Probing the average distribution of water in organic hydrate crystal structures with radial distribution functions (RDFs) von Skyner, R. E., Mitchell, J. B. O., Groom, C. R.

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Probing the average distribution of water in organic hydrate crystal structures with radial distribution functions (RDFs)Electronic supplementary information (ESI) available: All M... von Skyner, R. E, Mitchell, J. B. O, Groom, C. R

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Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease von Douangamath, Alice, Fearon, Daren, Gehrtz, Paul, Krojer, Tobias, Lukacik, Petra, Owen, C. David, Resnick, Efrat, Strain-Damerell, Claire, Aimon, Anthony, Ábrányi-Balogh, Péter, Brandão-Neto, José, Carbery, Anna, Davison, Gemma, Dias, Alexandre, Downes, Thomas D., Dunnett, Louise, Fairhead, Michael, Firth, James D., Jones, S. Paul, Keeley, Aaron, Keserü, György M., Klein, Hanna F., Martin, Mathew P., Noble, Martin E. M., O’Brien, Peter, Powell, Ailsa, Reddi, Rambabu N., Skyner, Rachael, Snee, Matthew, Waring, Michael J., Wild, Conor, London, Nir, von Delft, Frank, Walsh, Martin A.

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Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease von Bray, Simon, Dudgeon, Tim, Skyner, Rachael, Backofen, Rolf, Grüning, Björn, von Delft, Frank

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The Need for a National Accreditation Programme for Professionals Working in the Field of Animal Training and Behavioural Modification in New Zealand von Skyner, Lindsay J, Cameron, Kristie E, Dale, Arnja, Walker, Jessica K

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Shyness–Boldness, but not Exploration, Predicts Glucocorticoid Stress Response in Richardson's Ground Squirrels (Urocitellus richardsonii) von Clary, Dawson, Skyner, Lindsay J, Ryan, Calen P, Gardiner, Laura E, Anderson, W. Gary, Hare, James F, Koenig, W

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Furred and feathered friends: How attached are zookeepers to the animals in their care? von Melfi, Vicky, Skyner, Lindsay, Birke, Lynda, Ward, Samantha J., Shaw, Wendy S., Hosey, Geoff

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Building multi-component crystals from cations and co-crystals: the use of chaperonesElectronic supplementary information (ESI) available: Crystal structures in CIF format, HOMOs a... von Bukenya, Shamim, Munshi, Tasnim, Scowen, Ian J, Skyner, Rachael, Whitaker, Darren A, Seaton, Colin C

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Experimental and theoretical study of three newly-synthesized iminochalcones: An example of dual emission induced by polarity changes von Riga-Rocha, Beatriz A., Machado, Antonio E.H., Neumann, Miguel G., Cavalheiro, Carla C.S.

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Fluorinated phenyl meso-substituents regulating excited state absorption-driven protonation of free-base porphyrins von Lopes, J.M.S., Machado, A.E.H., Batista, A.A., Iglesias, B.A., Araujo, P.T., Barbosa Neto, N.M.

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Aurasperone A Inhibits SARS CoV-2 In Vitro: An Integrated In Vitro and In Silico Study von ElNaggar, Mai H, Abdelwahab, Ghada M, Kutkat, Omnia, GabAllah, Mohamed, Ali, Mohamed A, El-Metwally, Mohamed E A, Sayed, Ahmed M, Abdelmohsen, Usama Ramadan, Khalil, Ashraf T

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Structural biology in the time of COVID-19: perspectives on methods and milestones von Lynch, Miranda L, Snell, Edward H, Bowman, Sarah E J

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Computational prediction of drug solubility in water-based systems: Qualitative and quantitative approaches used in the current drug discovery and development setting von Bergström, Christel A.S., Larsson, Per

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Automated Molecular Cluster Growing for Explicit Solvation by Efficient Force Field and Tight Binding Methods von Spicher, Sebastian, Plett, Christoph, Pracht, Philipp, Hansen, Andreas, Grimme, Stefan

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WaSPred: A reliable AI-based water solubility predictor for small molecules von Di Stefano, Miriana, Galati, Salvatore, Lonzi, Chiara, Granchi, Carlotta, Poli, Giulio, Tuccinardi, Tiziano, Macchia, Marco

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The Visitor Effect on Zoo Animals: Implications and Opportunities for Zoo Animal Welfare von Sherwen, Sally L, Hemsworth, Paul H

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Solvation Entropy Made Simple von Garza, Alejandro J

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A comparative theoretical study on the solvent dependency of anthocyanin extraction profiles von Phan, Kim, Den Broeck, Elias Van, Raes, Katleen, De Clerck, Karen, Speybroeck, Veronique Van, De Meester, Steven

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How do we characterize temperament? Broad testing of temperament across time and contexts in low-variable conditions von McMahon, Elyse K., Farhan, Saaniya, Cavigelli, Sonia A.

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