Energy decomposition analysis approaches and their evaluation on prototypical protein-drug interaction patterns von Phipps, Maximillian J S, Fox, Thomas, Tautermann, Christofer S, Skylaris, Chris-Kriton

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The ONETEP linear-scaling density functional theory program von Prentice, Joseph C. A., Aarons, Jolyon, Womack, James C., Allen, Alice E. A., Andrinopoulos, Lampros, Anton, Lucian, Bell, Robert A., Bhandari, Arihant, Bramley, Gabriel A., Charlton, Robert J., Clements, Rebecca J., Cole, Daniel J., Constantinescu, Gabriel, Corsetti, Fabiano, Dubois, Simon M.-M., Duff, Kevin K. B., Escartín, José María, Greco, Andrea, Hill, Quintin, Lee, Louis P., Linscott, Edward, O’Regan, David D., Phipps, Maximillian J. S., Ratcliff, Laura E., Serrano, Álvaro Ruiz, Tait, Edward W., Teobaldi, Gilberto, Vitale, Valerio, Yeung, Nelson, Zuehlsdorff, Tim J., Dziedzic, Jacek, Haynes, Peter D., Hine, Nicholas D. M., Mostofi, Arash A., Payne, Mike C., Skylaris, Chris-Kriton

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Charge Distributions of Nitro Groups Within Organic Explosive Crystals: Effects on Sensitivity and Modeling von Aina, Alexander A, Misquitta, Alston J, Phipps, Maximillian J. S, Price, Sarah L

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Mechanism of Os-Catalyzed Oxidative Cyclization of 1,5-Dienes von Hussein, Aqeel A, Phipps, Maximillian J. S, Skylaris, Chris-Kriton, Brown, Richard C. D

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Surfactant Proteins A and D: Trimerized Innate Immunity Proteins with an Affinity for Viral Fusion Proteins von Watson, Alastair, Phipps, Maximillian J.S., Clark, Howard W., Skylaris, Chris-Kriton, Madsen, Jens

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Energy decomposition analysis approaches and their evaluation on prototypical protein-drug interaction patternsElectronic supplementary information (ESI) available. See DOI: 10.103... von Phipps, Maximillian J. S, Fox, Thomas, Tautermann, Christofer S, Skylaris, Chris-Kriton

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The ONETEP linear-scaling density functional theory program von Prentice, Joseph CA, Aarons, Jolyon, Womack, James C, Allen, Alice EA, Andrinopoulos, Lampros, Anton, Lucian, Bell, Robert A, Bhandari, Arihant, Bramley, Gabriel A, Charlton, Robert J, Clements, Rebecca J, Cole, Daniel J, Constantinescu, Gabriel, Corsetti, Fabiano, Dubois, Simon M-M, Duff, Kevin KB, Escartín, José María, Greco, Andrea, Hill, Quintin, Lee, Louis P, Linscott, Edward, O'Regan, David D, Phipps, Maximillian JS, Ratcliff, Laura E, Serrano, Álvaro Ruiz, Tait, Edward W, Teobaldi, Gilberto, Vitale, Valerio, Yeung, Nelson, Zuehlsdorff, Tim J, Dziedzic, Jacek, Haynes, Peter D, Hine, Nicholas DM, Mostofi, Arash A, Payne, Mike C, Skylaris, Chris-Kriton

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