October 24, 2018 article Open access Avoiding False Positive Conclusions in Molecular Simulation: The Importance of Replicas Journal of Chemical Theory and Computation DOI: 10.1021/acs.jctc.8b00391 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 4 stored of 378 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 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 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 Hypothesis-Driven, Structure-Based Design in Photopharmacology: The Case of eDHFR Inhibitors 2022 Journal of Medicinal Chemistry article Materials Science Photochromic and Fluorescence Chemistry Open access 27 citations 4 results References 0