Tim James

University of Auckland — New Zealand

Computer Science · Physical Sciences

11h-index280citations26works3.02yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Computational Drug Discovery Methods(8), Receptor Mechanisms and Signaling(8), Neuropeptides and Animal Physiology(5), Chemical Synthesis and Analysis(3), Protein Structure and Dynamics(2)

Publications26 total

Generation of a high-spectral flow cytometry panel to characterise placental Hofbauer cell phenotype.
Placenta·2025
Morphological map of under- and overexpression of genes in human cells
Nature Methods·2025· 6 citedOpen Access
Morphological map of under- and over-expression of genes in human cells
2024· 5 citedOpen Access
PIRATE: Plundering AlphaFold Predictions to Automate Protein Engineering
2024· 1 citedOpen Access
Knowledge Graphs and Their Applications in Drug Discovery
Methods in molecular biology·2023· 15 cited
Laboratory automation
Oxford University Press eBooks·2022· 2 cited
dunXai: DO-U-Net for Explainable (Multi-label) Image Classification
Lecture notes in computer science·2022
Deep Learning and Computational Chemistry
Methods in molecular biology·2021· 8 cited
Pharmaceutical Industry—Academia Cooperation
2021
Enhancing Chemogenomics with Predictive Pharmacology
Journal of Medicinal Chemistry·2020· 5 cited
Characterizing Interhelical Interactions of G-Protein Coupled Receptors with the Fragment Molecular Orbital Method
Journal of Chemical Theory and Computation·2020· 23 citedOpen Access
Analyzing GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method
Methods in molecular biology·2020· 1 cited
Guiding Medicinal Chemistry with Fragment Molecular Orbital (FMO) Method
Methods in molecular biology·2020· 14 cited
Conformational Searching with Quantum Mechanics
Methods in molecular biology·2020· 28 cited
P.42Discovery of novel small molecule treatment options for FSHD
Neuromuscular Disorders·2019
Characterising GPCR–ligand interactions using a fragment molecular orbital-based approach
Current Opinion in Structural Biology·2019· 15 cited
Cheminformatics in the Service of GPCR Drug Discovery
Methods in molecular biology·2017· 4 cited
Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method
Methods in molecular biology·2017· 18 cited
Automation
Clinical Biochemistry·2016
Guiding lead optimization with GPCR structure modeling and molecular dynamics
Current Opinion in Pharmacology·2016· 30 cited
page 1 of 2Next →

Frequent Co-authors

Alexander Heifetz(9), Iñaki Morao(7), Michelle Southey(6), Mike J. Bodkin(6), Dmitri G. Fedorov(5), Matteo Aldeghi(4), Andrea Townsend‐Nicholson(4), Holger Hennig(3), Michael J. Bodkin(2), Philip C. Biggin(2), Laurie Sarrat(2), Dimitar Hristozov(2), Srinivas Niranj Chandrasekaran(2), Eric Alix(2), John Arévalo(2), Adriana Borowa(2), Patrick J. Byrne(2), William G Charles(2), Zitong Chen(2), Beth A. Cimini(2)