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Mutate and Conjugate: A Method to Enable Rapid In-Cell Target Validation.

Journal article

Thomas AM. et al, (2023), ACS Chem Biol

Computed Protein-Protein Enthalpy Signatures as a Tool for Identifying Conformation Sampling Problems.

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Çınaroğlu SS. and Biggin PC., (2023), J Chem Inf Model, 63, 6095 - 6108

Side Groups Convert the α7 Nicotinic Receptor Agonist Ether Quinuclidine into a Type I Positive Allosteric Modulator.

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Viscarra F. et al, (2023), ACS Chem Neurosci, 14, 2876 - 2887

The role of loop dynamics in the prediction of ligand-protein binding enthalpy.

Journal article

Çınaroğlu SS. and Biggin PC., (2023), Chem Sci, 14, 6792 - 6805

Tackling Hysteresis in Conformational Sampling: How to Be Forgetful with MEMENTO.

Journal article

Lichtinger SM. and Biggin PC., (2023), J Chem Theory Comput

Evaluating the use of absolute binding free energy in the fragment optimisation process

Journal article

Alibay I. et al, (2022), Communications Chemistry, 5

When is a hydrophobic gate not a hydrophobic gate?

Journal article

Seiferth D. et al, (2022), J Gen Physiol, 154

Structural insights into binding of therapeutic channel blockers in NMDA receptors.

Journal article

Chou T-H. et al, (2022), Nat Struct Mol Biol, 29, 507 - 518

Correction Schemes for Absolute Binding Free Energies Involving Lipid Bilayers.

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Wu Z. and Biggin PC., (2022), J Chem Theory Comput

Structural basis of antifolate recognition and transport by PCFT.

Journal article

Parker JL. et al, (2021), Nature, 595, 130 - 134

State-dependent protein-lipid interactions of a pentameric ligand-gated ion channel in a neuronal membrane.

Journal article

Dämgen MA. and Biggin PC., (2021), PLoS Comput Biol, 17

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