Molecular dynamics study of dipalmitoylphosphatidylcholine lipid layer self-assembly onto a single-walled carbon nanotube H. Wang, S. Michielssens, S.L. Moors, A. Ceulemans Nano Research 2 (12), 945-9542009A1Published while none of the authors were employed at the CMMDOI http://dx.doi.org/10.1007/s12274-009-9097-5 Read more about Molecular dynamics study of dipalmitoylphosphatidylcholine lipid layer self-assembly onto a single-walled carbon nanotube
Improved Replica Exchange Method for Native-State Protein Sampling S.L. Moors, S. Michielssens, A. Ceulemans Journal of Chemical Theory and Computation (JCTC) 7 (1), 231-2372011A1Published while none of the authors were employed at the CMMDOI http://dx.doi.org/10.1021/ct100493v Read more about Improved Replica Exchange Method for Native-State Protein Sampling
Structural basis for the role of LYS220 as proton donor for nucleotidyl transfer in HIV-1 reverse transcriptase S. Michielssens, S.L. Moors, M. Froeyen, P. Herdewijn, A. Ceulemans Biophysical Chemistry 157 (1-3), 1-62011A1Published while none of the authors were employed at the CMMDOI http://dx.doi.org/10.1016/j.bpc.2011.03.009 Read more about Structural basis for the role of LYS220 as proton donor for nucleotidyl transfer in HIV-1 reverse transcriptase
Normal Mode Analysis of Trp RNA Binding Attenuation Protein: Structure and Collective Motions G. Hu, S. Michielssens, S.L. Moors, A. Ceulemans Journal of Chemical Information and Modeling (JCIM) 51 (9), 2361-23712011A1Published while none of the authors were employed at the CMMDOI http://dx.doi.org/10.1021/ci200268y Read more about Normal Mode Analysis of Trp RNA Binding Attenuation Protein: Structure and Collective Motions
Structure-Based Site of Metabolism Prediction for Cytochrome P450 2D6 S.L. Moors, A.M. Vos, M.D. Cummings, H. Van Vlijmen, A. Ceulemans Journal of Medicinal Chemistry 54 (17), 6098-61052011A1Published while none of the authors were employed at the CMMDOI http://dx.doi.org/10.1021/jm2006468 Read more about Structure-Based Site of Metabolism Prediction for Cytochrome P450 2D6
The harmonic analysis of cylindrically symmetric proteins: A comparison of Dronpa and a DNA sliding clamp G. Hu, S. Michielssens, S.L. Moors, A. Ceulemans Journal of Molecular Graphics and Modelling 34, 28-372012A1Published while none of the authors were employed at the CMMDOI http://dx.doi.org/10.1016/j.jmgm.2011.12.005 Read more about The harmonic analysis of cylindrically symmetric proteins: A comparison of Dronpa and a DNA sliding clamp
Correction to “Shape-Selective Diffusion of Olefins in 8-Ring Solid Acid Microporous Zeolites” Read more about Correction to “Shape-Selective Diffusion of Olefins in 8-Ring Solid Acid Microporous Zeolites”
Combined Theoretical and Experimental Study on the Influence of Zeolitic Acid Strength on the Methanol Conversion Process K. De Wispelaere, M. Westgård Erichsen, K. Hemelsoet, S.L. Moors, T. Deconinck, S. Svelle, M. Waroquier, U. Olsbye, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue IAP Annual MeetingHasselt, BelgiumFriday, 11 September, 2015 Read more about Combined Theoretical and Experimental Study on the Influence of Zeolitic Acid Strength on the Methanol Conversion Process
Solvation and primary structure effects on the deamidation of asparaginyl residues in peptides J. Van der Mynsbrugge, S.L. Moors, V. Van Speybroeck, S. Catak COMP 393ISBN/ISSN:TalkConference / event / venue 250th ACS National Meeting & Exposition - Division of Computers in Chemistry (COMP)Boston, MA, USASunday, 16 August, 2015 to Thursday, 20 August, 2015 Read more about Solvation and primary structure effects on the deamidation of asparaginyl residues in peptides
Combined Theoretical and Experimental Study on the Influence of Zeolitic Acid Strength on the Methanol Conversion Process K. De Wispelaere, M. Westgård Erichsen, K. Hemelsoet, S.L. Moors, T. Deconinck, S. Svelle, M. Waroquier, U. Olsbye, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue ZMPC2015Sapporo, JapanSunday, 28 June, 2015 to Thursday, 2 July, 2015 Read more about Combined Theoretical and Experimental Study on the Influence of Zeolitic Acid Strength on the Methanol Conversion Process