October 27, 2016 article Open access Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset Journal of Computer-Aided Molecular Design DOI: 10.1007/s10822-016-9977-1 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 4 stored of 411 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 Effective data-driven collective variables for free energy calculations from metadynamics of paths 2024 PNAS Nexus article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access 11 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 Multimap targeted free energy estimation 2023 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access 3 citations Alkane/Water Partition Coefficient Calculation Based on the Modified AM1 Method and Internal Hydrogen Bonding Sampling Using COSMO-RS 2021 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access cited by 1 patent 10 citations 4 results References 0