화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 Assessing the Accuracy and Performance of Implicit Solvent Models for Drug Molecules: Conformational Ensemble Approaches
Kolar M, Fanfrlik J, Lepsik M, Forti F, Luque FJ, Hobza P
Journal of Physical Chemistry B, 117(19), 5950, 2013
2 Ligand Migration in Methanosarcina acetivorans Protoglobin: Effects of Ligand Binding and Dimeric Assembly
Forti F, Boechi L, Bikiel D, Marti MA, Nardini M, Bolognesi M, Viappiani C, Estrin D, Luque FJ
Journal of Physical Chemistry B, 115(46), 13771, 2011
3 Role of Heme Distortion on Oxygen Affinity in Heme Proteins: The Protoglobin Case
Bikiel DE, Forti F, Boechi L, Nardini M, Luque FJ, Marti MA, Estrin DA
Journal of Physical Chemistry B, 114(25), 8536, 2010
4 Performance of the IEF-MST Solvation Continuum Model in a Blind Test Prediction of Hydration Free Energies
Soteras I, Forti F, Orozco M, Luque FJ
Journal of Physical Chemistry B, 113(27), 9330, 2009
5 Geometrical and electronic structure variability of the sugar-phosphate backbone in nucleic acids
Svozil D, Sponer JE, Marchan I, Perez A, Cheatham TE, Forti F, Luque FJ, Orozco M, Sponer J
Journal of Physical Chemistry B, 112(27), 8188, 2008