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Journal Articles
- 2024
[j12]Nischal Guruwacharya
, Soham Chakraborty, Govind Saraswat, Richard A. Bryce, Timothy M. Hansen, Reinaldo Tonkoski:
Data-Driven Modeling of Grid-Forming Inverter Dynamics Using Power Hardware-in-the-Loop Experimentation. IEEE Access 12: 52267-52281 (2024)- [j11]Azam Nesabi, Jas Kalayan, Sara Al Rawashdeh, Mohammad A. Ghattas, Richard A. Bryce:
Molecular dynamics simulations as a guide for modulating small molecule aggregation. J. Comput. Aided Mol. Des. 38(1): 11 (2024) - [j10]Jas Kalayan, Ismaeel Ramzan, Christopher D. Williams, Richard A. Bryce, Neil A. Burton:
A neural network potential based on pairwise resolved atomic forces and energies. J. Comput. Chem. 45(14): 1143-1151 (2024) - [j9]Abdallah Abou Hajal, Richard A. Bryce, Boulbaba Ben Amor, Noor Atatreh, Mohammad A. Ghattas:
Boosting the Accuracy and Chemical Space Coverage of the Detection of Small Colloidal Aggregating Molecules Using the BAD Molecule Filter. J. Chem. Inf. Model. 64(13): 4991-5005 (2024) - [j8]Sondos Musleh, Irfan Alibay, Philip C. Biggin, Richard A. Bryce:
Analysis of Glycan Recognition by Concanavalin A Using Absolute Binding Free Energy Calculations. J. Chem. Inf. Model. 64(20): 8063-8073 (2024) - 2022
- [j7]Linghan Kong, Richard A. Bryce:
Modeling pyranose ring pucker in carbohydrates using machine learning and semi-empirical quantum chemical methods. J. Comput. Chem. 43(30): 2009-2022 (2022) - 2020
- [j6]Mohammad A. Ghattas, Sara Al Rawashdeh, Noor Atatreh, Richard A. Bryce:
How Do Small Molecule Aggregates Inhibit Enzyme Activity? A Molecular Dynamics Study. J. Chem. Inf. Model. 60(8): 3901-3909 (2020) - 2019
- [j5]Irfan Alibay, Richard A. Bryce:
Ring Puckering Landscapes of Glycosaminoglycan-Related Monosaccharides from Molecular Dynamics Simulations. J. Chem. Inf. Model. 59(11): 4729-4741 (2019) - 2014
- [j4]Alessio Atzori, Neil J. Bruce, Kepa K. Burusco, Berthold Wroblowski, Pascal Bonnet, Richard A. Bryce:
Exploring Protein Kinase Conformation Using Swarm-Enhanced Sampling Molecular Dynamics. J. Chem. Inf. Model. 54(10): 2764-2775 (2014) - 2011
- [j3]Daniel Mucs, Richard A. Bryce, Pascal Bonnet:
Application of shape-based and pharmacophore-based in silico screens for identification of Type II protein kinase inhibitors. J. Comput. Aided Mol. Des. 25(6): 569-581 (2011) - 2009
- [j2]Pedro Fong, Jonathan P. McNamara, Ian H. Hillier, Richard A. Bryce:
Assessment of QM/MM Scoring Functions for Molecular Docking to HIV-1 Protease. J. Chem. Inf. Model. 49(4): 913-924 (2009) - 2007
- [j1]Ian R. Gould, Hoda Abdel-Aal Bettley, Richard A. Bryce:
Correlated ab initio quantum chemical calculations of di- and trisaccharide conformations. J. Comput. Chem. 28(12): 1965-1973 (2007)
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