March 07, 2016 article HTMD: High-Throughput Molecular Dynamics for Molecular Discovery Journal of Chemical Theory and Computation DOI: 10.1021/acs.jctc.6b00049 OpenAlex Authors 0 Author list not loaded yet. Cited by 9 stored of 498 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 Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor Binding 2025 The Journal of Physical Chemistry B article Computer Science Computational Drug Discovery Methods Open access 12 citations Large scale investigation of GPCR molecular dynamics data uncovers allosteric sites and lateral gateways 2025 Nature Communications article Biochemistry, Genetics and Molecular Biology Receptor Mechanisms and Signaling Open access 68 citations Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding 2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Computer Science Computational Drug Discovery Methods Open access 3 citations Navigating the complexities of docking tools with nicotinic receptors and acetylcholine binding proteins in the realm of neonicotinoids 2024 Ecotoxicology and Environmental Safety article Computer Science Computational Drug Discovery Methods Open access 14 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 3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors 2023 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access 6 citations 3DDPDs: Describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors 2023 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access 1 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 9 results References 0