Jonathan Barnoud
University of Bristol
H-index: 22
Europe-United Kingdom
Top articles of Jonathan Barnoud
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Martini 3 Coarse-Grained Force Field for Cholesterol | Journal of Chemical Theory and Computation | Luís Borges-Araújo Ana C Borges-Araújo Tugba Nur Ozturk Daniel P Ramirez-Echemendia Balázs Fábián | 2023/10/5 |
Free energy along drug-protein binding pathways interactively sampled in virtual reality | Scientific Reports | Helen M Deeks Kirill Zinovjev Jonathan Barnoud Adrian J Mulholland Marc W Van der Kamp | 2023/10/4 |
Building a community-driven ecosystem for fast, reproducible, and reusable molecular simulation analysis using mdanalysis | Biophysical journal | Irfan Alibay Jonathan Barnoud Oliver Beckstein Richard J Gowers Philip R Loche | 2023/2/10 |
The emerging potential of interactive virtual reality in drug discovery | Rebecca K Walters Ella M Gale Jonathan Barnoud David R Glowacki Adrian J Mulholland | 2022/7/3 | |
Interactive virtual reality holds great potential in drug discovery | Rebecca K Walters Ella M Gale Jonathan Barnoud David R Glowacki Adrian J Mulholland | 2022/5/16 | |
Virtual reality sampled pathways guide free energy calculation of protein-ligand binding | Helen Deeks Kirill Zinovjev Jonathan Barnoud Adrian Mulholland Marc van der Kamp | 2022/4/19 | |
MDAnalysis 2.0 and beyond: fast and interoperable, community driven simulation analysis | Biophysical Journal | Fiona B Naughton Irfan Alibay Jonathan Barnoud Estefania Barreto-Ojeda Oliver Beckstein | 2022/2/11 |
Interactivity: the missing link between virtual reality technology and drug discovery pipelines | Rebecca K Walters Ella M Gale Jonathan Barnoud David R Glowacki Adrian J Mulholland | 2022/2/8 | |
Martinize2 and vermouth: Unified framework for topology generation | arXiv preprint arXiv:2212.01191 | Peter C Kroon Fabian Grünewald Jonathan Barnoud Marco van Tilburg Paulo CT Souza | 2022/11/29 |
Martini 3 coarse‐grained force field: small molecules | Advanced Theory and Simulations | Riccardo Alessandri Jonathan Barnoud Anders S Gertsen Ilias Patmanidis Alex H de Vries | 2022/1 |
Martini 3: a general purpose force field for coarse-grained molecular dynamics | Nature methods | Paulo CT Souza Riccardo Alessandri Jonathan Barnoud Sebastian Thallmair Ignacio Faustino | 2021/4 |
Size-dependent aggregation of hydrophobic nanoparticles in lipid membranes | Nanoscale | Enrico Lavagna Jonathan Barnoud Giulia Rossi Luca Monticelli | 2020 |
Titratable Martini model for constant pH simulations | The Journal of chemical physics | Fabian Grünewald Paulo CT Souza Haleh Abdizadeh Jonathan Barnoud Alex H de Vries | 2020/7/14 |
Coupling coarse-grained to fine-grained models via Hamiltonian Replica Exchange | Journal of Chemical Theory and Computation | Yang Liu Weria Pezeshkian Jonathan Barnoud Alex H De Vries Siewert J Marrink | 2020/6/22 |
Interactive molecular dynamics in virtual reality is an effective tool for flexible substrate and inhibitor docking to the SARS-CoV-2 main protease | The Journal of chemical physics | Michael B O’Connor Simon J Bennie Helen M Deeks Alexander Jamieson-Binnie Alex J Jones | 2019/6/14 |
Dual resolution membrane simulations using virtual sites | The Journal of Physical Chemistry B | Yang Liu Alex H De Vries Jonathan Barnoud Weria Pezeshkian Josef Melcr | 2020/4/21 |
Resolving donor–acceptor interfaces and charge carrier energy levels of organic semiconductors with polar side chains | Advanced Functional Materials | Riccardo Alessandri Selim Sami Jonathan Barnoud Alex H de Vries Siewert J Marrink | 2020/11 |
Sex and Ontogenetic Variation in the Crest of Numida meleagris: Implications for Crested Vertebrates | The Anatomical Record | Delphine Angst Jonathan Barnoud Raphael Cornette Anusuya Chinsamy | 2020/4 |
Piezo1 forms specific, functionally important interactions with phosphoinositides and cholesterol | Biophysical journal | Amanda Buyan Charles D Cox Jonathan Barnoud Jinyuan Li Hannah SM Chan | 2020/10/20 |
Capturing choline–aromatics cation− π interactions in the MARTINI force field | Journal of chemical theory and computation | Hanif M Khan Paulo CT Souza Sebastian Thallmair Jonathan Barnoud Alex H De Vries | 2020/2/25 |
Co-Authors
