Philip C. Biggin

17 papers Journal 17
YearRankTypeTitle / Venue / Authors
2025 J jnl
Can AI-Predicted Complexes Teach Machine Learning to Compute Drug Binding Affinity?
J. Chem. Inf. Model.
Wei-Tse Hsu, Savva Grevtsev, Anna M. Herz, Thomas Douglas, Aniket Magarkar, Philip C. Biggin
2025 J jnl
Can AI-predicted complexes teach machine learning to compute drug binding affinity?
CoRR
Wei-Tse Hsu, Savva Grevtsev, Thomas Douglas, Aniket Magarkar, Philip C. Biggin
2024 J jnl
Analysis of Glycan Recognition by Concanavalin A Using Absolute Binding Free Energy Calculations.
J. Chem. Inf. Model.
Sondos Musleh, Irfan Alibay, Philip C. Biggin, Richard A. Bryce
2024 J jnl
Automated Absolute Binding Free Energy Calculation Workflow for Drug Discovery.
J. Chem. Inf. Model.
Benjamin Ries, Irfan Alibay, Nithishwer Mouroug Anand, Philip C. Biggin, Aniket Magarkar
2023 J jnl
Computed Protein-Protein Enthalpy Signatures as a Tool for Identifying Conformation Sampling Problems.
J. Chem. Inf. Model.
Süleyman Selim Çinaroglu, Philip C. Biggin
2022 J jnl
SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction.
J. Comput. Aided Mol. Des.
Harold Grosjean, Mehtap Isik Bennett, Anthony Aimon, David L. Mobley, John D. Chodera, Frank von Delft, Philip C. Biggin
2022 J jnl
Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review.
Frontiers Bioinform.
Rocco Meli, Garrett M. Morris, Philip C. Biggin
2021 J jnl
Learning protein-ligand binding affinity with atomic environment vectors.
J. Cheminformatics
Rocco Meli, Andrew Anighoro, Michael J. Bodkin, Garrett M. Morris, Philip C. Biggin
2021 J jnl
State-dependent protein-lipid interactions of a pentameric ligand-gated ion channel in a neuronal membrane.
PLoS Comput. Biol.
Marc A. Dämgen, Philip C. Biggin
2020 J jnl
spyrmsd: symmetry-corrected RMSD calculations in Python.
J. Cheminformatics
Rocco Meli, Philip C. Biggin
2017 J jnl
Statistical Analysis on the Performance of Molecular Mechanics Poisson-Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study.
J. Chem. Inf. Model.
Matteo Aldeghi, Michael J. Bodkin, Stefan Knapp, Philip C. Biggin
2016 J jnl
Steered Molecular Dynamics Simulations Predict Conformational Stability of Glutamate Receptors.
J. Chem. Inf. Model.
Maria Musgaard, Philip C. Biggin
2016 J jnl
The Fragment Molecular Orbital Method Reveals New Insight into the Chemical Nature of GPCR-Ligand Interactions.
J. Chem. Inf. Model.
Alexander Heifetz, Ewa I. Chudyk, Laura Gleave, Matteo Aldeghi, Vadim Cherezov, Dmitri G. Fedorov, Philip C. Biggin, Michael J. Bodkin
2012 J jnl
JGromacs: A Java Package for Analyzing Protein Simulations.
J. Chem. Inf. Model.
Márton Münz, Philip C. Biggin
2012 J jnl
The Role of Flexibility and Conformational Selection in the Binding Promiscuity of PDZ Domains.
PLoS Comput. Biol.
Márton Münz, Jotun Hein, Philip C. Biggin
2010 J jnl
Bookshelf: a simple curation system for the storage of biomolecular simulation data.
Database J. Biol. Databases Curation
Shabana Vohra, Benjamin A. Hall, Daniel A. Holdbrook, Syma Khalid, Philip C. Biggin
2010 J jnl
Dynamics based alignment of proteins: an alternative approach to quantify dynamic similarity.
BMC Bioinform.
Márton Münz, Rune B. Lyngsø, Jotun Hein, Philip C. Biggin