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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.

Journal article

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

Coarse-Grained Molecular Dynamics Simulations of Membrane Proteins: A Practical Guide.

Journal article

Glass WG. et al, (2021), Methods Mol Biol, 2302, 253 - 273

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