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Ludovic Chaput



Spécialisé en modélisation moléculaire.


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Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations

Ludovic Chaput , Edithe Selwa , Eddy Elisée , Bogdan Iorga
Journal of Computer-Aided Molecular Design, 2019, 33 (1), pp.93-103. ⟨10.1007/s10822-018-0161-7⟩
Journal articles hal-02119834v1
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Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset

Eddy Elisée , Vytautas Gapsys , Nawel Mele , Ludovic Chaput , Edithe Selwa et al.
Journal of Computer-Aided Molecular Design, 2019, 33 (12), pp.1031-1043. ⟨10.1007/s10822-019-00232-w⟩
Journal articles hal-02346257v1
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Topology-Selective Fluorescent "Light-Up" Probes for G-Quadruplex DNA Based on Photoinduced Electron Transfer

Xiao Xie , Oksana Reznichenko , Ludovic Chaput , Pascal G.P. Martin , Marie-Paule Teulade-Fichou et al.
Chemistry - A European Journal, 2018, ⟨10.1002/chem.201801701⟩
Journal articles hal-01821778v1
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Enhancing the enantioselectivity of CALB by substrate imprinting: A combined experimental and molecular dynamics simulation model study

Ludovic Chaput , Zsuzsanna Marton , Philippe Pineau , Lisiane Domon , Vinh Tran et al.
Journal of Molecular Catalysis B: Enzymatic, 2012, 84, pp.55-61
Journal articles hal-00789671v1
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Lipase hydration state in the gas phase: Sorption isotherm measurements and inverse gas chromatography

Zsuzsanna Marton , Ludovic Chaput , Guillaume Pierre , Marianne Graber
Biotechnology Journal, 2010, 5 (11), pp.1216. ⟨10.1002/biot.201000272⟩
Journal articles hal-00590750v1