October 22, 2025 review Open access Enhanced Sampling in the Age of Machine Learning: Algorithms and Applications Chemical Reviews DOI: 10.1021/acs.chemrev.5c00700 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 1 stored of 51 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 Automatic Differentiation for Enhanced Potential Energy Surface Navigation: Improved Minimum and Transition State Search in Molecular Dynamics 2026 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies 0 citations 1 result References 3 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 Targeted Free Energy Perturbation Revisited: Accurate Free Energies from Mapped Reference Potentials 2021 The Journal of Physical Chemistry Letters article Physics and Astronomy Advanced Chemical Physics Studies Open access 45 citations Water-Triggered, Irreversible Conformational Change of SARS-CoV-2 Main Protease on Passing from the Solid State to Aqueous Solution 2021 Journal of the American Chemical Society article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics 24 citations Free energies at QM accuracy from force fields via multimap targeted estimation 2023 Proceedings of the National Academy of Sciences article Computer Science Computational Drug Discovery Methods Open access 19 citations 3 results