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Exploring the Influence of Pore Shape on Conductance and Permeation.

Journal article

Seiferth D. and Biggin PC., (2024), Biophys J

Automated Absolute Binding Free Energy Calculation Workflow for Drug Discovery.

Journal article

Ries B. et al, (2024), J Chem Inf Model

Molecular basis for pH sensing in the KDEL trafficking receptor.

Journal article

Wu Z. et al, (2024), Structure

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.

Journal article

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.

Journal article

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

Modelling solution structures of cyclic peptides - How good are we?

Journal article

Crusius D. et al, (2023), Biophysical journal, 122

Novel methods for the acceleration of protein simulation

Journal article

Rochira W. and Biggin PC., (2023), Biophysical journal, 122

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