Annick Dejaegere

Annick Dejaegere

Institute of Genetics and Molecular and Cellular Biology - / France
Natural Sciences / Molecular Biology & Genetics
AD Scientific Index ID: 4410824
Institut de Génétique et Biologie Moléculaire et Cellulaire
person_outline Annick Dejaegere's MOST POPULAR ARTICLES
1-) Frontier bonds in QM/MM methods: A comparison of different approaches N Reuter, A Dejaegere, B Maigret, M Karplus The Journal of Physical Chemistry A 104 (8), 1720-1735, 2000 5032000
2-) Allostery in its many disguises: from theory to applications SJ Wodak, E Paci, NV Dokholyan, IN Berezovsky, A Horovitz, J Li, ... Structure 27 (4), 566-578, 2019 2892019
3-) Theoretical Evaluation of pKa in Phosphoranes:  Implications for Phosphate Ester Hydrolysis X Lopez, M Schaefer, A Dejaegere, M Karplus Journal of the American Chemical Society 124 (18), 5010-5018, 2002 1522002
4-) Protein/ligand binding free energies calculated with quantum mechanics/molecular mechanicsF Gräter, SM Schwarzl, A Dejaegere, S Fischer, JC SmithThe Journal of Physical Chemistry B 109 (20), 10474-10483, 20051432005
5-) The importance of quadrupolar interactions in molecular recognition processes involving a phenyl groupM Luhmer, K Bartik, AP Dejaegere, P Bovy, J ReisseBulletin de la Société chimique de France 131 (5), 603-606, 19941141994