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

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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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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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A Refined Open State of the Glycine Receptor Obtained via Molecular Dynamics Simulations von Dämgen, Marc A., 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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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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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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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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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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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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State-dependent protein-lipid interactions of a pentameric ligand-gated ion channel in a neuronal membrane von Damgen, 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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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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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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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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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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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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Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs von Kumar, Arvind, Kindig, Kayla, Rao, Shanlin, Zaki, Afroditi-Maria, Basak, Sandip, Sansom, Mark S. P., Biggin, Philip C., Chakrapani, Sudha

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