Entropy and enzyme catalysis J Åqvist, M Kazemi, GV Isaksen, BO Brandsdal Accounts of chemical research 50 (2), 199-207, 2017 | 128 | 2017 |
Enzyme surface rigidity tunes the temperature dependence of catalytic rates GV Isaksen, J Åqvist, BO Brandsdal Proceedings of the National Academy of Sciences 113 (28), 7822-7827, 2016 | 92 | 2016 |
Computation of enzyme cold adaptation J Åqvist, GV Isaksen, BO Brandsdal Nature Reviews Chemistry 1 (7), 0051, 2017 | 91 | 2017 |
Protein surface softness is the origin of enzyme cold-adaptation of trypsin GV Isaksen, J Åqvist, BO Brandsdal PLoS computational biology 10 (8), e1003813, 2014 | 86 | 2014 |
Unnatural amino acid side chains as S1, S1′, and S2′ probes yield cationic antimicrobial peptides with stability toward chymotryptic degradation R Karstad, G Isaksen, BO Brandsdal, JS Svendsen, J Svenson Journal of medicinal chemistry 53 (15), 5558-5566, 2010 | 59 | 2010 |
Targeting the S1 and S3 subsite of trypsin with unnatural cationic amino acids generates antimicrobial peptides with potential for oral administration R Karstad, G Isaksen, E Wynendaele, Y Guttormsen, B De Spiegeleer, ... Journal of Medicinal Chemistry 55 (14), 6294-6305, 2012 | 44 | 2012 |
In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides GE Flaten, G Kottra, W Stensen, G Isaksen, R Karstad, JS Svendsen, ... Journal of Medicinal Chemistry 54 (7), 2422-2432, 2011 | 39 | 2011 |
QresFEP: an automated protocol for free energy calculations of protein mutations in Q W Jespers, GV Isaksen, TAH Andberg, S Vasile, A van Veen, J Åqvist, ... Journal of Chemical Theory and Computation 15 (10), 5461-5473, 2019 | 37 | 2019 |
A comparative study of cold-and warm-adapted Endonucleases A using sequence analyses and molecular dynamics simulations D Michetti, BO Brandsdal, D Bon, GV Isaksen, M Tiberti, E Papaleo PloS one 12 (2), e0169586, 2017 | 36 | 2017 |
Towards rational computational engineering of psychrophilic enzymes J Sočan, GV Isaksen, BO Brandsdal, J Åqvist Scientific reports 9 (1), 19147, 2019 | 23 | 2019 |
Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family X Guo, A Söderholm, S Kanchugal P, GV Isaksen, O Warsi, U Eckhard, ... Elife 10, e61818, 2021 | 22 | 2021 |
Qgui: A high-throughput interface for automated setup and analysis of free energy calculations and empirical valence bond simulations in biological systems GV Isaksen, TAH Andberg, J Åqvist, BO Brandsdal Journal of Molecular Graphics and Modelling 60, 15-23, 2015 | 20 | 2015 |
Catalytic adaptation of psychrophilic elastase J Sočan, M Kazemi, GV Isaksen, BO Brandsdal, J Åqvist Biochemistry 57 (20), 2984-2993, 2018 | 18 | 2018 |
Computer simulations reveal substrate specificity of glycosidic bond cleavage in native and mutant human purine nucleoside phosphorylase GV Isaksen, KH Hopmann, J Åqvist, BO Brandsdal Biochemistry 55 (14), 2153-2162, 2016 | 16 | 2016 |
Structure and mechanism of a cold-adapted bacterial lipase F van der Ent, BA Lund, L Svalberg, M Purg, G Chukwu, M Widersten, ... Biochemistry 61 (10), 933-942, 2022 | 9 | 2022 |
Thermodynamics of the purine nucleoside phosphorylase reaction revealed by computer simulations GV Isaksen, J Åqvist, BO Brandsdal Biochemistry 56 (1), 306-312, 2017 | 7 | 2017 |
Relevance of the entropy factor in stereoselectivity control of asymmetric photoreactions T Mori Synlett 31 (13), 1259-1267, 2020 | 6 | 2020 |
Accurate computation of thermodynamic activation parameters in the chorismate mutase reaction from empirical valence bond simulations RS Wilkins, BA Lund, GV Isaksen, J Åqvist, BO Brandsdal Journal of Chemical Theory and Computation 20 (1), 451-458, 2023 | 2 | 2023 |
Biophysical characterization and analysis of a mesophilic chorismate mutase from B. pumilus RS Wilkins, BA Lund, GV Isaksen, J Åqvist, BO Brandsdal bioRxiv, 2023.04. 20.537678, 2023 | | 2023 |
Structure and mechanism of a phage-encoded SAM lyase revises catalytic function of enzyme family GV Isaksen, X Guo, A Söderholm, S Kanchugal P, O Warsi, U Eckhard, ... eLife Sciences Publications, 2021 | | 2021 |