ff19SB: Amino-acid-specific protein backbone parameters trained against quantum mechanics energy surfaces in solution C Tian, K Kasavajhala, KAA Belfon, L Raguette, H Huang, AN Migues, ... Journal of chemical theory and computation 16 (1), 528-552, 2019 | 1074 | 2019 |
The flexibility of ACE2 in the context of SARS-CoV-2 infection EP Barros, L Casalino, Z Gaieb, AC Dommer, Y Wang, L Fallon, ... Biophysical journal 120 (6), 1072-1084, 2021 | 118 | 2021 |
Free energy landscapes from SARS-CoV-2 spike glycoprotein simulations suggest that rbd opening can be modulated via interactions in an allosteric pocket L Fallon, KAA Belfon, L Raguette, Y Wang, D Stepanenko, A Cuomo, ... Journal of the American Chemical Society 143 (30), 11349-11360, 2021 | 50 | 2021 |
Polymeric Nano‐Blue‐Energy Generator Based on Anion‐Selective Ionomers with 3D Pores and pH‐Driving Gating X Zhu, J Zhong, J Hao, Y Wang, J Zhou, J Liao, Y Dong, J Pang, H Zhang, ... Advanced Energy Materials 10 (44), 2001552, 2020 | 25 | 2020 |
Recognition of polymer configurations by unsupervised learning X Xu, Q Wei, H Li, Y Wang, Y Chen, Y Jiang Physical Review E 99 (4), 043307, 2019 | 18 | 2019 |