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2020 – today
- 2024
[j14]Benjamin Ries
, Irfan Alibay, Nithishwer Mouroug Anand, Philip C. Biggin, Aniket Magarkar:
Automated Absolute Binding Free Energy Calculation Workflow for Drug Discovery. J. Chem. Inf. Model. 64(14): 5357-5364 (2024)- 2023
- [j13]Süleyman Selim Çinaroglu, Philip C. Biggin:
Computed Protein-Protein Enthalpy Signatures as a Tool for Identifying Conformation Sampling Problems. J. Chem. Inf. Model. 63(19): 6095-6108 (2023) - 2022
- [j12]Rocco Meli, Garrett M. Morris, Philip C. Biggin:
Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review. Frontiers Bioinform. 2 (2022) - [j11]Harold Grosjean, Mehtap Isik, Anthony Aimon, David L. Mobley, John D. Chodera, Frank von Delft, Philip C. Biggin:
SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction. J. Comput. Aided Mol. Des. 36(4): 291-311 (2022) - 2021
- [j10]Rocco Meli, Andrew Anighoro, Michael J. Bodkin, Garrett M. Morris, Philip C. Biggin:
Learning protein-ligand binding affinity with atomic environment vectors. J. Cheminformatics 13(1): 59 (2021) - [j9]Marc A. Dämgen, Philip C. Biggin:
State-dependent protein-lipid interactions of a pentameric ligand-gated ion channel in a neuronal membrane. PLoS Comput. Biol. 17(2) (2021) - 2020
- [j8]Rocco Meli, Philip C. Biggin:
spyrmsd: symmetry-corrected RMSD calculations in Python. J. Cheminformatics 12(1): 49 (2020)
2010 – 2019
- 2017
- [j7]Matteo Aldeghi, Michael J. Bodkin, Stefan Knapp, Philip C. Biggin:
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. 57(9): 2203-2221 (2017) - 2016
- [j6]Alexander Heifetz, Ewa I. Chudyk, Laura Gleave, Matteo Aldeghi, Vadim Cherezov, Dmitri G. Fedorov, Philip C. Biggin, Michael J. Bodkin:
The Fragment Molecular Orbital Method Reveals New Insight into the Chemical Nature of GPCR-Ligand Interactions. J. Chem. Inf. Model. 56(1): 159-172 (2016) - [j5]Maria Musgaard, Philip C. Biggin:
Steered Molecular Dynamics Simulations Predict Conformational Stability of Glutamate Receptors. J. Chem. Inf. Model. 56(9): 1787-1797 (2016) - 2012
- [j4]Márton Münz, Philip C. Biggin:
JGromacs: A Java Package for Analyzing Protein Simulations. J. Chem. Inf. Model. 52(1): 255-259 (2012) - [j3]Márton Münz, Jotun Hein, Philip C. Biggin:
The Role of Flexibility and Conformational Selection in the Binding Promiscuity of PDZ Domains. PLoS Comput. Biol. 8(11) (2012) - 2010
- [j2]Shabana Vohra, Benjamin A. Hall, Daniel A. Holdbrook, Syma Khalid, Philip C. Biggin:
Bookshelf: a simple curation system for the storage of biomolecular simulation data. Database J. Biol. Databases Curation 2010 (2010) - [j1]Márton Münz, Rune B. Lyngsø, Jotun Hein, Philip C. Biggin:
Dynamics based alignment of proteins: an alternative approach to quantify dynamic similarity. BMC Bioinform. 11: 188 (2010)
Coauthor Index
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