Ian Henderson Williams

University of Bath

United Kingdom

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Articles (11)

Year:

2025

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2025

Year:

2025

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2022

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2022

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2021

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2020

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2020

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2020

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2020

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2020

Collaborators (5)

Ming-Wei Chang

University of Ulster

UNITED KINGDOM

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marco molinari

Senior Lecturer

University of Huddersfield

UNITED KINGDOM

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Philippe Wilson

Professor of One Health

University of Nottingham

UNITED KINGDOM

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Jack Glancy

University of Bath

UNITED KINGDOM

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Maite Roca

Profesora Titular de Universidad

Universitat Jaume I

SPAIN

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Ian Henderson Williams

Research Interests

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Articles (11)

Virtual transition states

Apparent Kinetic Isotope Effects for Multi-Step Steady-State Reactions

Virtual transition states: making sense of multiple transition states in parallel and series

Gibbs energies of activation for reacting systems with multiple reactant‐state and transition‐state conformations

In Silico Ligand Docking Approaches to Characterise the Binding of Known Allosteric Modulators to the Glucagon-Like Peptide 1 Receptor and Prediction of ADME/Tox Properties

Computational exploration of α-lactone rearrangements and the cyclic halonium zwitterion from bromination of acrylate anion in water: Implicit vs. explicit solvation

Transition-State Vibrational Analysis and Isotope Effects for COMT-Catalyzed Methyl Transfer

Computational simulation of mechanism and isotope effects on acetal heterolysis as a model for glycoside hydrolysis

Influence of Dielectric Environment upon Isotope Effects on Glycoside Heterolysis: Computational Evaluation and Atomic Hessian Analysis

Critical evaluation of anharmonicity and configurational averaging in QM/MM modelling of equilibrium isotope effects

G-Protein coupled receptors: structure and function in drug discovery

Collaborators (5)

Ming-Wei Chang

marco molinari

Philippe Wilson

Jack Glancy

Maite Roca

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