Improving efficiency of large timescale molecular dynamics simulations of hydrogen-rich systems KA Feenstra, B Hess, HJC Berendsen J Comput Chem 20, 786-798, 1999 | 987 | 1999 |
Gromacs User Manual version 4.0, 2005 D Van Der Spoel, E Lindahl, B Hess, AR Van Buuren, E Apol, ... URL http://www. gromacs. org/Documentation/Manual, 2009 | 860* | 2009 |
GROMACS user manual version 5.1 MJ Abraham, D Van Der Spoel, E Lindahl, B Hess | 580* | 2014 |
Cytochrome P450 in silico: an integrative modeling approach C De Graaf, NPE Vermeulen, KA Feenstra Journal of medicinal chemistry 48 (8), 2725-2755, 2005 | 280 | 2005 |
Dynamic conformations of flavin adenine dinucleotide: simulated molecular dynamics of the flavin cofactor related to the time-resolved fluorescence characteristics PAW Van den Berg, KA Feenstra, AE Mark, HJC Berendsen, AJWG Visser The Journal of Physical Chemistry B 106 (34), 8858-8869, 2002 | 179 | 2002 |
Interaction of 14-3-3 proteins with the estrogen receptor alpha F domain provides a drug target interface IJ De Vries-van Leeuwen, D da Costa Pereira, KD Flach, SR Piersma, ... Proceedings of the National Academy of Sciences 110 (22), 8894-8899, 2013 | 140 | 2013 |
PRALINE™: a strategy for improved multiple alignment of transmembrane proteins W Pirovano, KA Feenstra, J Heringa Bioinformatics 24 (4), 492-497, 2008 | 136 | 2008 |
Multi-RELIEF: a method to recognize specificity determining residues from multiple sequence alignments using a Machine-Learning approach for feature weighting K Ye, K Anton Feenstra, J Heringa, AP IJzerman, E Marchiori Bioinformatics 24 (1), 18-25, 2008 | 100 | 2008 |
Hard-wired heterogeneity in blood stem cells revealed using a dynamic regulatory network model N Bonzanni, A Garg, KA Feenstra, J Schütte, S Kinston, ... Bioinformatics 29 (13), i80-i88, 2013 | 92 | 2013 |
Sequence comparison by sequence harmony identifies subtype-specific functional sites W Pirovano, KA Feenstra, J Heringa Nucleic acids research 34 (22), 6540-6548, 2006 | 85 | 2006 |
Metabolic Regio- and Stereoselectivity of Cytochrome P450 2D6 towards 3,4-Methylenedioxy-N-alkylamphetamines: in Silico Predictions and Experimental … PHJ Keizers, C de Graaf, FJJ de Kanter, C Oostenbrink, KA Feenstra, ... Journal of medicinal chemistry 48 (19), 6117-6127, 2005 | 77 | 2005 |
Altering the regioselectivity of cytochrome P450 CYP102A3 of Bacillus subtilis by using a new versatile assay system O Lentz, A Feenstra, T Habicher, B Hauer, RD Schmid, VB Urlacher ChemBioChem 7 (2), 345-350, 2006 | 74 | 2006 |
Seeing the trees through the forest: sequence-based homo-and heteromeric protein-protein interaction sites prediction using random forest Q Hou, PFG De Geest, WF Vranken, J Heringa, KA Feenstra Bioinformatics 33 (10), 1479-1487, 2017 | 72 | 2017 |
Multi-Harmony: detecting functional specificity from sequence alignment BW Brandt, KA Feenstra, J Heringa Nucleic acids research 38 (suppl_2), W35-W40, 2010 | 71 | 2010 |
The potential use of big data in oncology SM Willems, S Abeln, KA Feenstra, R de Bree, EF van der Poel, ... Oral oncology 98, 8-12, 2019 | 64 | 2019 |
Executing multicellular differentiation: quantitative predictive modelling of C.elegans vulval development N Bonzanni, E Krepska, KA Feenstra, W Fokkink, T Kielmann, H Bal, ... Bioinformatics 25 (16), 2049-2056, 2009 | 60 | 2009 |
Multiple sequence alignment P Bawono, M Dijkstra, W Pirovano, A Feenstra, S Abeln, J Heringa Bioinformatics: volume I: data, sequence analysis, and evolution, 167-189, 2017 | 59 | 2017 |
Gromacs User Manual version 3.0, Nijenborgh 4, 9747 AG Groningen, The Netherlands D van der Spoel, AR van Buuren, E Apol, PJ Meulenhoff, DP Tieleman, ... Internet: http://www. gromacs. org, 2001 | 56 | 2001 |
Coarse-grained versus atomistic simulations: realistic interaction free energies for real proteins A May, R Pool, E van Dijk, J Bijlard, S Abeln, J Heringa, KA Feenstra Bioinformatics 30 (3), 326-334, 2014 | 55 | 2014 |
Aurora kinase A (AURKA) interaction with Wnt and Ras-MAPK signalling pathways in colorectal cancer A Jacobsen, LJW Bosch, SR Martens-de Kemp, B Carvalho, ... Scientific reports 8 (1), 7522, 2018 | 54 | 2018 |