| On the frustration to predict binding affinities from protein–ligand structures with deep neural networks M Volkov, JA Turk, N Drizard, N Martin, B Hoffmann, Y Gaston-Mathé, ... Journal of medicinal chemistry 65 (11), 7946-7958, 2022 | 93 | 2022 |
| Elucidation of antioxidant properties of wood bark derived saturated diarylheptanoids: A comprehensive (DFT-supported) understanding J Ponomarenko, P Trouillas, N Martin, T Dizhbite, J Krasilnikova, ... Phytochemistry 103, 178-187, 2014 | 47 | 2014 |
| Un-gating and allosteric modulation of a pentameric ligand-gated ion channel captured by molecular dynamics NE Martin, S Malik, N Calimet, JP Changeux, M Cecchini PLoS computational biology 13 (10), e1005784, 2017 | 37 | 2017 |
| An ion-permeable state of the glycine receptor captured by molecular dynamics AH Cerdan, NE Martin, M Cecchini Structure 26 (11), 1555-1562. e4, 2018 | 33 | 2018 |
| Carbon–ceramic (AlN) interfaces from liquid quench ab initio molecular dynamics simulations N Martin, R Pailler, JM Leyssale Molecular Simulation 40 (1-3), 160-168, 2014 | 4 | 2014 |
| Composite C/C à matrice nanochargée en alumine et en nitrure d'aluminium N Martin Université de Bordeaux, 2014 | 1 | 2014 |
| Allosteric modulation of pentameric ligand gated ion channels: from the jiggling of atoms to neuropharmacological strategies N Martin Strasbourg, 2017 | | 2017 |
| Matricial inclusion of AlN and Al2O3 nanoparticles in C/C composites from aqueous growth and ceramization at the pre-densified stage N Martin, H Plaisantin, P Weisbecker, JM Leyssale, R Pailler Ceramics International 43 (18), 17015-17021, 2017 | | 2017 |
| The Use of Computer Simulations to Serve a New Approach of Drug Design: Application to the Pentameric Ligand Gated Ion Channelsfamily N Martin Éditeur inconnu, 2016 | | 2016 |
| Binding Affinities Prediction with Graph Neural Networks from Protein-Ligand Structures M Volkov, JA Turk, N Drizard, N Martin, B Hoffmann, D Rognan | | |
Marco CecchiniAssociate Professor, University of StrasbourgVerified email at unistra.fr
