A Refined Open State of the Glycine Receptor Obtained via Molecular Dynamics Simulations by Dämgen, MA, Biggin, PC

Computational studies of receptors by Musgaard, M, Biggin, PC

State-dependent protein-lipid interactions of a pentameric ligand-gated ion channel in a neuronal membrane by Dämgen, MA, Biggin, PC

Evaluating the performance of water models with host–guest force fields in binding enthalpy calculations for cucurbit[7]uril–guest systems by Çınaroğlu, SS, Biggin, PC

spyrmsd: symmetry-corrected RMSD calculations in Python by Meli, R, Biggin, PC

Computed protein-protein enthalpy signatures as a tool for identifying conformation sampling problems by Çınaroğlu, SS, Biggin, PC

The KDEL trafficking receptor exploits pH to tune the strength of an unusual short hydrogen bond by Wu, Z, Newstead, S, Biggin, PC

Limitations of non-polarizable force fields in describing anion binding poses in non-polar synthetic hosts by Seiferth, D, Tucker, SJ, Biggin, PC

Computational investigation of voltage-gated sodium channel β3 subunit dynamics by Glass, WG, Duncan, AL, Biggin, PC

When is a hydrophobic gate not a hydrophobic gate? by Seiferth, D, Biggin, PC, Tucker, SJ

Absolute alchemical free energy calculations for ligand binding: a beginner’s guide by Aldeghi, M, Bluck, JP, Biggin, PC

Comment on “On the functional annotation of open-channel structures in the glycine receptor” by Dämgen, MA, Zaki, AM, Biggin, PC

Proton-control of transitions in an amino-acid transporter by Wu, Z, Alibay, I, Newstead, S, Biggin, PC

Learning protein-ligand binding affinity with atomic environment vectors by Meli, R, Anighoro, A, Bodkin, MJ, Morris, GM, Biggin, PC

Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data by Valsson, Í, Warren, MT, Deane, CM, Magarkar, A, Morris, GM, Biggin, PC

Structural basis for antibiotic transport and inhibition in PepT2 by Parker, JL, Deme, JC, Lichtinger, SM, Kuteyi, G, Biggin, PC, Lea, SM, Newstead, S

Molecular basis for pH sensing in the KDEL trafficking receptor by Wu, Z, Smith, K, Gerondopoulos, A, Sobajima, T, Parker, JL, Barr, FA, Newstead, S, Biggin, PC

Mutational analysis and modeling of negative allosteric modulator binding sites in AMPA receptors by Stenum-Berg, C, Musgaard, M, Chavez-Abiega, S, Thisted, CL, Barrella, L, Biggin, PC, Kristensen, AS

Crystal structures of a GABAA-receptor chimera reveal new endogenous neurosteroid-binding sites by Laverty, D, Thomas, P, Field, M, Andersen, OJ, Gold, MG, Biggin, PC, Gielen, M, Smart, TG

Molecular determinants of binding of non-oxime bispyridinium nerve agent antidote compounds to the adult muscle nAChR by Epstein, M, Bali, K, Piggot, TJ, Green, AC, Timperley, CM, Bird, M, Tattersall, JEH, Bermudez, I, Biggin, PC