January 01, 2001 article A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations Journal of Computational Chemistry DOI: 10.1002/1096-987x(20010415)22:5<501::aid-jcc1021>3.0.co;2-v OpenAlex Authors 0 Author list not loaded yet. Cited by 5 stored of 1,491 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 From Atoms to Neuronal Spikes: A Multiscale Simulation Framework 2026 Journal of Chemical Theory and Computation article Biochemistry, Genetics and Molecular Biology Ion channel regulation and function Open access 0 citations From Atoms to Neuronal Spikes: A Multi-Scale Simulation Framework 2025 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Ion channel regulation and function Open access 0 citations Structure-Based Discovery of Mouse Trace Amine-Associated Receptor 5 Antagonists 2023 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access 7 citations Modeling the Orthosteric Binding Site of the G Protein-Coupled Odorant Receptor OR5K1 2023 Journal of Chemical Information and Modeling article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access 30 citations Modeling the Orthosteric Binding Site of the G Protein-Coupled Odorant Receptor OR5K1 2022 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access 2 citations 5 results References 0