Julien Michel

Affiliations: 
University of Edinburgh, Edinburgh, Scotland, United Kingdom 
Area:
computational chemistry
Google:
"Julien Michel"
Mean distance: 9.26
 
SNBCP

Parents

Sign in to add mentor
Jonathan W. Essex grad student 2002-2006
BETA: Related publications

Publications

You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect.

Nelson L, Bariami S, Ringrose C, et al. (2021) Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations. Journal of Chemical Information and Modeling
Mey ASJS, Allen BK, Macdonald HEB, et al. (2020) Best Practices for Alchemical Free Energy Calculations [Article v1.0]. Living Journal of Computational Molecular Science. 2
Scheen J, Wu W, Mey ASJS, et al. (2020) A hybrid Alchemical Free Energy/Machine Learning Methodology for the Computation of Hydration Free Energies. Journal of Chemical Information and Modeling
Kuhn M, Firth-Clark S, Tosco P, et al. (2020) Assessment of Binding Affinity via Alchemical Free-Energy Calculations. Journal of Chemical Information and Modeling
Kuzmanic A, Bowman GR, Juarez-Jimenez J, et al. (2020) Investigating Cryptic Binding Sites by Molecular Dynamics Simulations. Accounts of Chemical Research
Rizzi A, Jensen T, Slochower DR, et al. (2020) The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations. Journal of Computer-Aided Molecular Design
Juárez-Jiménez J, Gupta AA, Karunanithy G, et al. (2020) Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A Chemical Science. 11: 2670-2680
Granadino-Roldán JM, Mey ASJS, Pérez González JJ, et al. (2019) Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors. Plos One. 14: e0213217
De Simone A, Georgiou C, Ioannidis H, et al. (2019) A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chemical Science. 10: 542-547
Loeffler HH, Bosisio S, Duarte Ramos Matos G, et al. (2018) Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software. Journal of Chemical Theory and Computation
See more...