Follow
Julien Michel
Julien Michel
Professor of Biomolecular Simulation, University of Edinburgh
Verified email at ed.ac.uk - Homepage
Title
Cited by
Cited by
Year
Targeting the von Hippel–Lindau E3 ubiquitin ligase using small molecules to disrupt the VHL/HIF-1α interaction
DL Buckley, I Van Molle, PC Gareiss, HS Tae, J Michel, DJ Noblin, ...
Journal of the American Chemical Society 134 (10), 4465-4468, 2012
5242012
Prediction of protein–ligand binding affinity by free energy simulations: assumptions, pitfalls and expectations
J Michel, JW Essex
Journal of computer-aided molecular design 24, 639-658, 2010
2872010
Energetics of displacing water molecules from protein binding sites: consequences for ligand optimization
J Michel, J Tirado-Rives, WL Jorgensen
Journal of the American Chemical Society 131 (42), 15403-15411, 2009
2812009
Prediction of the water content in protein binding sites
J Michel, J Tirado-Rives, WL Jorgensen
The journal of physical chemistry B 113 (40), 13337-13346, 2009
2362009
A remote arene-binding site on prostate specific membrane antigen revealed by antibody-recruiting small molecules
AX Zhang, RP Murelli, C Barinka, J Michel, A Cocleaza, WL Jorgensen, ...
Journal of the American Chemical Society 132 (36), 12711-12716, 2010
2072010
Luminescent, enantiopure, phenylatopyridine iridium-based coordination capsules
O Chepelin, J Ujma, X Wu, AMZ Slawin, MB Pitak, SJ Coles, J Michel, ...
Journal of the American Chemical Society 134 (47), 19334-19337, 2012
2052012
Best practices for alchemical free energy calculations [article v1. 0]
ASJS Mey, BK Allen, HEB Macdonald, JD Chodera, DF Hahn, M Kuhn, ...
Living journal of computational molecular science 2 (1), 2020
1942020
Compounds and methods for the enhanced degradation of targeted proteins and other polypeptides by an E3 ubiquitin ligase
CM Crews, D Buckley, A Ciulli, W Jorgensen, PC Gareiss, I Van Molle, ...
US Patent 10,730,862, 2020
1602020
Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity
DJ Huggins, PC Biggin, MA Dämgen, JW Essex, SA Harris, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (3), e1393, 2019
1522019
Assessment of binding affinity via alchemical free-energy calculations
M Kuhn, S Firth-Clark, P Tosco, ASJS Mey, M Mackey, J Michel
Journal of Chemical Information and Modeling 60 (6), 3120-3130, 2020
1492020
Chemical control over immune recognition: a class of antibody-recruiting small molecules that target prostate cancer
RP Murelli, AX Zhang, J Michel, WL Jorgensen, DA Spiegel
Journal of the American Chemical Society 131 (47), 17090-17092, 2009
1492009
Bridged β3-Peptide Inhibitors of p53-hDM2 Complexation: Correlation between Affinity and Cell Permeability
AD Bautista, JS Appelbaum, CJ Craig, J Michel, A Schepartz
Journal of the American Chemical Society 132 (9), 2904-2906, 2010
1422010
Investigating cryptic binding sites by molecular dynamics simulations
A Kuzmanic, GR Bowman, J Juarez-Jimenez, J Michel, FL Gervasio
Accounts of chemical research 53 (3), 654-661, 2020
1232020
Protein-ligand binding affinity predictions by implicit solvent simulations: a tool for lead optimization?
J Michel, ML Verdonk, JW Essex
Journal of medicinal chemistry 49 (25), 7427-7439, 2006
1152006
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations
A Rizzi, T Jensen, DR Slochower, M Aldeghi, V Gapsys, D Ntekoumes, ...
Journal of computer-aided molecular design 34 (5), 601-633, 2020
1122020
A simple QM/MM approach for capturing polarization effects in protein− ligand binding free energy calculations
FR Beierlein, J Michel, JW Essex
The Journal of Physical Chemistry B 115 (17), 4911-4926, 2011
1122011
FESetup: automating setup for alchemical free energy simulations
HH Loeffler, J Michel, C Woods
Journal of Chemical Information and Modeling 55 (12), 2485-2490, 2015
1112015
Coarse-grain modelling of DMPC and DOPC lipid bilayers
M Orsi, J Michel, JW Essex
Journal of physics: Condensed matter 22 (15), 155106, 2010
1042010
Prediction of partition coefficients by multiscale hybrid atomic-level/coarse-grain simulations
J Michel, M Orsi, JW Essex
The Journal of Physical Chemistry B 112 (3), 657-660, 2008
1002008
Rigorous free energy calculations in structure‐based drug design
J Michel, N Foloppe, JW Essex
Molecular informatics 29 (8‐9), 570-578, 2010
972010
The system can't perform the operation now. Try again later.
Articles 1–20