Motional timescale predictions by molecular dynamics simulations: case study using proline and hydroxyproline sidechain dynamics AE Aliev, M Kulke, HS Khaneja, V Chudasama, TD Sheppard, ... Proteins: Structure, Function, and Bioinformatics 82 (2), 195-215, 2014 | 251 | 2014 |
Molecular dynamics simulations to the bidirectional adhesion signaling pathway of integrin αVβ3 M Kulke, W Langel Proteins: Structure, Function, and Bioinformatics 88 (5), 679-688, 2020 | 23 | 2020 |
Molecular dynamics simulations on networks of heparin and collagen M Kulke, N Geist, W Friedrichs, W Langel Proteins: Structure, Function, and Bioinformatics 85 (6), 1119-1130, 2017 | 19 | 2017 |
Replica-based protein structure sampling methods II: advanced hybrid solvent TIGER2hs N Geist, M Kulke, L Schulig, A Link, W Langel The Journal of Physical Chemistry B 123 (28), 5995-6006, 2019 | 17 | 2019 |
Identification of a HTT-specific binding motif in DNAJB1 essential for suppression and disaggregation of HTT SM Ayala Mariscal, ML Pigazzini, Y Richter, M Özel, IL Grothaus, J Protze, ... Nature Communications 13 (1), 4692, 2022 | 16 | 2022 |
Replica-based protein structure sampling methods: compromising between explicit and implicit solvents M Kulke, N Geist, D Möller, W Langel The Journal of Physical Chemistry B 122 (29), 7295-7307, 2018 | 16 | 2018 |
Drug-induced activation of integrin alpha IIb beta 3 leads to minor localized structural changes U Janke, M Kulke, I Buchholz, N Geist, W Langel, M Delcea PloS one 14 (4), e0214969, 2019 | 15 | 2019 |
Characterization of promoter elements of isoprene‐responsive genes and the ability of isoprene to bind START domain transcription factors SM Weraduwage, A Sahu, M Kulke, JV Vermaas, TD Sharkey Plant Direct 7 (2), e483, 2023 | 9 | 2023 |
The isoprene‐responsive phosphoproteome provides new insights into the putative signalling pathways and novel roles of isoprene SM Weraduwage, D Whitten, M Kulke, A Sahu, JV Vermaas, TD Sharkey Plant, Cell & Environment 47 (4), 1099-1117, 2024 | 7 | 2024 |
Nanoscale simulation of the thylakoid membrane response to extreme temperatures M Kulke, SM Weraduwage, TD Sharkey, JV Vermaas Plant, Cell & Environment 46 (8), 2419-2431, 2023 | 7 | 2023 |
A hypothesized mechanism for chronic pancreatitis caused by the N34S mutation of serine protease inhibitor Kazal-type 1 based on conformational studies M Kulke, F Nagel, L Schulig, N Geist, M Gabor, J Mayerle, M M Lerch, ... Journal of Inflammation Research, 2111-2119, 2021 | 7 | 2021 |
Phosphorylation of fibronectin influences the structural stability of the predicted interchain domain M Kulke, M Uhrhan, N Geist, D Brüggemann, B Ohler, W Langel, ... Journal of Chemical Information and Modeling 59 (10), 4383-4392, 2019 | 7 | 2019 |
PLAT domain protein 1 (PLAT1/PLAFP) binds to the Arabidopsis thaliana plasma membrane and inserts a lipid M Kulke, E Kurtz, DM Boren, DM Olson, AM Koenig, S Hoffmann-Benning, ... Plant Science 338, 111900, 2024 | 5 | 2024 |
Reversible unwrapping algorithm for constant-pressure molecular dynamics simulations M Kulke, JV Vermaas Journal of Chemical Theory and Computation 18 (10), 6161-6171, 2022 | 5 | 2022 |
Specific domain V reduction of beta-2-glycoprotein I induces protein flexibility and alters pathogenic antibody binding I Buchholz, T McDonnell, P Nestler, S Tharad, M Kulke, A Radziszewska, ... Scientific Reports 11 (1), 4542, 2021 | 5 | 2021 |
Fundamental redesign of the tiger2hs kernel to address severe parameter sensitivity L Schulig, N Geist, M Delcea, A Link, M Kulke Journal of Chemical Information and Modeling 62 (17), 4200-4209, 2022 | 3 | 2022 |
Long‐Range Electron Transport Rates Depend on Wire Dimensions in Cytochrome Nanowires M Kulke, DM Olson, J Huang, DM Kramer, JV Vermaas Small 19 (52), 2304013, 2023 | 2 | 2023 |
Unveiling the N-terminal homodimerization of BCL11B by hybrid solvent replica-exchange simulations L Schulig, P Grabarczyk, N Geist, M Delin, H Forkel, M Kulke, M Delcea, ... International Journal of Molecular Sciences 22 (7), 3650, 2021 | 2 | 2021 |
Comparing cell wall and membrane contributions to mesophyll conductance in plants D Sarkar, M Kulke, I Kaufman, JV Vermaas Biophysical Journal 122 (3), 176a, 2023 | 1 | 2023 |
Improved Adsorption of the Antimicrobial Agent Poly (Hexamethylene) Biguanide on Ti-Al-V Alloys by NaOH Treatment and Impact of Mass Coverage and Contamination on Cytocompatibility P Zwicker, N Geist, E Göbler, M Kulke, T Schmidt, M Hornschuh, ... Coatings 11 (9), 1118, 2021 | 1 | 2021 |