July 16, 2015 software-paper Open access GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers SoftwareX DOI: 10.1016/j.softx.2015.06.001 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 146 stored of 28,520 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 Physics-based generative model of curvature sensing peptides; distinguishing sensors from binders 2023 Science Advances article Biochemistry, Genetics and Molecular Biology Lipid Membrane Structure and Behavior Open access 49 citations Diclofenac and other non-steroidal anti-inflammatory drugs (NSAIDs) are competitive antagonists of the human P2X3 receptor 2023 Frontiers in Pharmacology article Biochemistry, Genetics and Molecular Biology Adenosine and Purinergic Signaling Open access 8 citations MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations 2023 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access 11 citations Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel 2023 Journal of Chemical Information and Modeling article Neuroscience Neuroscience and Neuropharmacology Research Open access 24 citations Azobenzene-Based Amino Acids for the Photocontrol of Coiled-Coil Peptides 2023 Bioconjugate Chemistry article Materials Science Photochromic and Fluorescence Chemistry Open access cited by 1 patent 10 citations Lipase-mediated selective hydrolysis of lipid droplets in phase separated-liposomes 2023 ChemRxiv preprint Biochemistry, Genetics and Molecular Biology Lipid Membrane Structure and Behavior Open access 0 citations Manifestation of Hydrogen Bonding and Exciton Delocalization on the Absorption and Two-Dimensional Electronic Spectra of Chlorosomes 2023 The Journal of Physical Chemistry B article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access 24 citations Lipase-mediated selective hydrolysis of lipid droplets in phase separated-liposomes 2023 ChemRxiv preprint Biochemistry, Genetics and Molecular Biology Lipid Membrane Structure and Behavior Open access 0 citations Lipase-mediated selective hydrolysis of lipid droplets in phase separated-liposomes 2023 ChemRxiv preprint Biochemistry, Genetics and Molecular Biology Lipid Membrane Structure and Behavior Open access 1 citations Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET 2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access 8 citations Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design 2023 Physical Chemistry Chemical Physics article Computer Science Computational Drug Discovery Methods Open access 16 citations Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A Quantum Mechanics/Molecular Mechanics Study 2022 The Journal of Physical Chemistry Letters article Chemistry Mass Spectrometry Techniques and Applications Open access 7 citations Diclofenac and other Non-Steroidal Anti-Inflammatory Drugs (NSAIDs) are Competitive Antagonists of the human P2X3 Receptor 2022 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Adenosine and Purinergic Signaling Open access 0 citations Structural insights into the effects of glycerol on ligand binding to cytochrome P450 2022 Acta Crystallographica Section D Structural Biology article Materials Science Enzyme Structure and Function 4 citations Anisotropic Microgels by Supramolecular Assembly and Precipitation Polymerization of Pyrazole‐Modified Monomers 2022 Advanced Science article Materials Science Supramolecular Self-Assembly in Materials Open access 13 citations Proton Transfers to DNA in Native Electrospray Ionization Mass Spectrometry: A QM/MM Study 2022 bioRxiv (Cold Spring Harbor Laboratory) preprint Chemistry Mass Spectrometry Techniques and Applications Open access 0 citations Predictions of the poses and affinity of a ligand over the entire surface of a NEET protein: the case of human mitoNEET 2022 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access 1 citations Mechanism of calcium permeation in a glutamate receptor ion channel 2022 ChemRxiv preprint Neuroscience Neuroscience and Neuropharmacology Research Open access 4 citations Physics-based generative model of curvature sensing peptides; 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