| Amber 2023 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ... University of California, San Francisco, 2023 | 5969 | 2023 |
| 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 | 1471 | 2019 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023 | 584 | 2023 |
| 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 | 125 | 2021 |
| Amber 2020: University of california DA Case, K Belfon, I Ben-Shalom, S Brozell, D Cerutti, T Cheatham, ... San Francisco, 2020 | 111 | 2020 |
| AMBER 22 reference manual DA Case, RE Duke, RC Walker, NR Skrynnikov, TE Cheatham III, ... University of California, San Francisco, United States-California, 2022 | 56 | 2022 |
| 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 | 53 | 2021 |
| AmberTools21 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, S Brozell, D Cerutti, ... University of California: San Francisco, CA, USA, 2021 | 40 | 2021 |
| Amber 2020, 2020 DA Case, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, T Cheatham, ... San Francisco: University of California.[Academic Search], 2019 | 39 | 2019 |
| Kollman DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... PA, AMBER 8, 2023 | 26 | 2023 |
| Theoretical analysis of an all-photonic multifunctional molecular logic device: using TD-DFT//DFT to assess photochromic activity of multimeric photochrome KAA Belfon, JD Gough Chemical Physics Letters 585, 63-68, 2013 | 14 | 2013 |
| MC and PA Kollman SZDA Case, HM Aktulga, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, ... Amber, 2021 | 12 | 2021 |
| Free energy landscapes for RBD opening in SARS-CoV-2 spike glycoprotein simulations suggest key interactions and a potentially druggable allosteric pocket L Fallon, K Belfon, L Raguette, Y Wang, C Corbo, D Stepanenko, ... | 10 | 2020 |
| III; VWD Cruzeiro; TA Darden; RE Duke; G DA Case, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham Giambasu, 0 | 4 | |
| Receptor binding may directly activate the fusion machinery in coronavirus spike glycoproteins Y Wang, L Fallon, L Raguette, S Budhan, K Belfon, D Stepanenko, ... bioRxiv, 2021.05. 10.443496, 2021 | 3 | 2021 |
| Geometry deformation and mesomeric effect at the minimal-energy conical intersections and their relationship to the photoreactivity of indolylfulgides: A TD-DFT study KAA Belfon, JD Gough Chemical Physics Letters 593, 174-180, 2014 | 2 | 2014 |
| phosaa14SB and phosaa19SB: Updated Amber Force Field Parameters for Phosphorylated Amino Acids LE Raguette, AE Cuomo, KAA Belfon, C Tian, V Hazoglou, G Witek, ... Journal of Chemical Theory and Computation 20 (16), 7199-7209, 2024 | | 2024 |
| Improving the Toolbox to Study Protein Dynamics and Conformational Analysis of Viral Proteins KAA Belfon State University of New York at Stony Brook, 2021 | | 2021 |
| ff18SB: Amino-acid specific protein backbone parameters trained against quantum mechanics energies in solution C Tian, K Belfon, L Raguette, A Migues, Q Wu, C Simmerling ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| 1) Figures 2) Tables L Fallon, K Belfon, L Raguette, Y Wang, C Corbo, D Stepanenko, ... | | |
Carlos SimmerlingMarsha Laufer Chair in Physical & Quantitative Biology, SUNY Stony BrookVerified email at stonybrook.edu