Molecular basis for redox control by the human cystine/glutamate antiporter system xc von Parker, Joanne L., Deme, Justin C., Kolokouris, Dimitrios, Kuteyi, Gabriel, Biggin, Philip C., Lea, Susan M., Newstead, Simon

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spyrmsd: symmetry-corrected RMSD calculations in Python von Meli, Rocco, Biggin, Philip C.

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Statistical Analysis on the Performance of Molecular Mechanics Poisson–Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study von Aldeghi, Matteo, Bodkin, Michael J, Knapp, Stefan, Biggin, Philip C

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Accurate calculation of the absolute free energy of binding for drug molecules von Aldeghi, Matteo, Heifetz, Alexander, Bodkin, Michael J, Knapp, Stefan, Biggin, Philip C

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Rapid and accurate prediction and scoring of water molecules in protein binding sites von Ross, Gregory A, Morris, Garrett M, Biggin, Philip C

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A Refined Open State of the Glycine Receptor Obtained via Molecular Dynamics Simulations von Dämgen, Marc A., Biggin, Philip C.

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Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review von Meli, Rocco, Morris, Garrett M., Biggin, Philip C.

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Waterdock 2.0: Water placement prediction for Holo-structures with a pymol plugin von Sridhar, Akshay, Ross, Gregory A, Biggin, Philip C

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Conformational transitions and allosteric modulation in a heteromeric glycine receptor von Gibbs, Eric, Klemm, Emily, Seiferth, David, Kumar, Arvind, Ilca, Serban L., Biggin, Philip C., Chakrapani, Sudha

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Distinct Structural Pathways Coordinate the Activation of AMPA Receptor-Auxiliary Subunit Complexes von Dawe, G. Brent, Musgaard, Maria, Aurousseau, Mark R.P., Nayeem, Naushaba, Green, Tim, Biggin, Philip C., Bowie, Derek

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State-dependent protein-lipid interactions of a pentameric ligand-gated ion channel in a neuronal membrane von Dämgen, Marc A, Biggin, Philip C

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Cryo-EM structures of prokaryotic ligand-gated ion channel GLIC provide insights into gating in a lipid environment von Bharambe, Nikhil, Li, Zhuowen, Seiferth, David, Balakrishna, Asha Manikkoth, Biggin, Philip C., Basak, Sandip

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The role of loop dynamics in the prediction of ligand-protein binding enthalpy von Ç naro lu, Süleyman Selim, Biggin, Philip C

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Mass spectrometry reveals synergistic effects of nucleotides, lipids, and drugs binding to a multidrug resistance efflux pump von Marcoux, Julien, Wang, Sheila C., Politis, Argyris, Reading, Eamonn, Ma, Jerome, Biggin, Philip C., Zhou, Min, Tao, Houchao, Zhang, Qinghai, Chang, Geoffrey, Morgner, Nina, Robinson, Carol V.

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Learning protein-ligand binding affinity with atomic environment vectors von Meli, Rocco, Anighoro, Andrew, Bodkin, Mike J., Morris, Garrett M., Biggin, Philip C.

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Atomistic mechanisms of human TRPA1 activation by electrophile irritants through molecular dynamics simulation and mutual information analysis von Habgood, Matthew, Seiferth, David, Zaki, Afroditi-Maria, Alibay, Irfan, Biggin, Philip C.

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Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity von Huggins, David J., Biggin, Philip C., Dämgen, Marc A., Essex, Jonathan W., Harris, Sarah A., Henchman, Richard H., Khalid, Syma, Kuzmanic, Antonija, Laughton, Charles A., Michel, Julien, Mulholland, Adrian J., Rosta, Edina, Sansom, Mark S. P., van der Kamp, Marc W.

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Structural basis for antibiotic transport and inhibition in PepT2 von Parker, Joanne L., Deme, Justin C., Lichtinger, Simon M., Kuteyi, Gabriel, Biggin, Philip C., Lea, Susan M., Newstead, Simon

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Structure of the Inhibited State of the Sec Translocon von Gérard, Samuel F., Hall, Belinda S., Zaki, Afroditi M., Corfield, Katherine A., Mayerhofer, Peter U., Costa, Catia, Whelligan, Daniel K., Biggin, Philip C., Simmonds, Rachel E., Higgins, Matthew K.

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The role of flexibility and conformational selection in the binding promiscuity of PDZ domains von Münz, Márton, Hein, Jotun, Biggin, Philip C

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