January 01, 2015 conference-paper Open access Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS Lecture notes in computer science DOI: 10.1007/978-3-319-15976-8_1 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 8 stored of 1,268 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Computational Modeling and Self-Assembly Synthesis of Borazine-Based Free-Standing Molecular-Thin Films 2026 Langmuir article Materials Science Boron and Carbon Nanomaterials Research Open access 1 citations Monolayer nanocrystalline graphene synthesized from pyrolyzing a Langmuir monolayer of a polyaromatic hydrocarbon 2026 Science Advances article Materials Science Graphene research and applications Open access 2 citations MiMiC: A high-performance framework for multiscale molecular dynamics simulations 2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 12 citations Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations 2023 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access 58 citations Freestanding non-covalent thin films of the propeller-shaped polycyclic aromatic hydrocarbon decacyclene 2022 Nature Communications article Engineering Surface Chemistry and Catalysis Open access 15 citations Role of Tyr-39 for the Structural Features of α-Synuclein and for the Interaction with a Strong Modulator of Its Amyloid Assembly 2020 International Journal of Molecular Sciences article Medicine Parkinson's Disease Mechanisms and Treatments Open access 12 citations Deletion and Randomization of Structurally Variable Regions in B. subtilis Lipase A (BSLA) Alter Its Stability and Hydrolytic Performance Against Long Chain Fatty Acid Esters 2020 International Journal of Molecular Sciences article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access 12 citations Power generation by reverse electrodialysis in a single-layer nanoporous membrane made from core–rim polycyclic aromatic hydrocarbons 2020 Nature Nanotechnology article Engineering Membrane-based Ion Separation Techniques Open access 222 citations 8 results References 0