| Molecular characterization of ebselen binding activity to SARS-CoV-2 main protease CA Menéndez, F Byléhn, GR Perez-Lemus, W Alvarado, JJ de Pablo Science Advances 6 (37), eabd0345, 2020 | 98 | 2020 |
| Modeling the binding mechanism of remdesivir, favilavir, and ribavirin to SARS-CoV-2 RNA-dependent RNA polymerase F Byléhn, CA Menendez, GR Perez-Lemus, W Alvarado, JJ De Pablo ACS central science 7 (1), 164-174, 2021 | 68 | 2021 |
| Role of ligand-driven conformational changes in enzyme catalysis: Modeling the reactivity of the catalytic cage of triosephosphate isomerase YS Kulkarni, Q Liao, F Byléhn, TL Amyes, JP Richard, SCL Kamerlin Journal of the American Chemical Society 140 (11), 3854-3857, 2018 | 30 | 2018 |
| Toward wide-spectrum antivirals against coronaviruses: Molecular characterization of SARS-CoV-2 NSP13 helicase inhibitors GR Perez-Lemus, CA Menéndez, W Alvarado, F Byléhn, JJ de Pablo Science advances 8 (1), eabj4526, 2022 | 28 | 2022 |
| Molecular characterization of COVID-19 therapeutics: luteolin as an allosteric modulator of the spike protein of SARS-CoV-2 W Alvarado, GR Perez-Lemus, CA Menéndez, F Byléhn, JJ de Pablo Molecular Systems Design & Engineering 7 (1), 58-66, 2022 | 14 | 2022 |
| Development of Masitinib Derivatives with Enhanced Mpro Ligand Efficiency and Reduced Cytotoxicity CA Menendez, A Mohamed, GR Perez-Lemus, AM Weiss, BW Rawe, ... Molecules 28 (18), 6643, 2023 | 1 | 2023 |
| Systematic modification of functionality in disordered elastic networks through free energy surface tailoring D Mendels, F Byléhn, TW Sirk, JJ de Pablo Science Advances 9 (23), eadf7541, 2023 | 1 | 2023 |
| An autonomous design algorithm to experimentally realize three-dimensionally isotropic auxetic network structures without compromising density M Shen, MA Reyes-Martinez, LA Powell, MA Iadicola, A Sharma, F Byléhn, ... npj Computational Materials 10 (1), 113, 2024 | | 2024 |
| Local Deformations of Proteins through Molecular Simulations Reveal Allosteric Pathways F Byléhn, P Zubieta, JJ de Pablo 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Molecular analysis of the type III interferon complex and its applications in protein engineering WS Grubbe, F Byléhn, W Alvarado, JJ de Pablo, JL Mendoza Biophysical Journal 122 (21), 4254-4263, 2023 | | 2023 |
| The use of molecular dynamics simulations to study cytokine complexes and its applications for protein engineering W Grubbe, F Byléhn, W Alvarado, J de Pablo, J Mendoza Journal of Biological Chemistry 299 (3), S102, 2023 | | 2023 |
| Local deformations of proteins through molecular simulations reveal allosteric couplings with implications for drug design F Byléhn, J De Pablo, G Perez Lemus, C Menendez, W Alvarado APS March Meeting Abstracts 2023, T08. 005, 2023 | | 2023 |
| Systematic Modification of Functionality Through Free Energy Surface Tailoring D Mendels, F Byléhn, T Sirk, J De Pablo APS March Meeting Abstracts 2023, K28. 013, 2023 | | 2023 |
| Molecular analysis of the type III interferon complex and its applications in protein design and engineering W Grubbe, F Byléhn, W Alvarado, J Mendoza, J De Pablo APS March Meeting Abstracts 2023, N08. 007, 2023 | | 2023 |
| Toward Wide-Spectrum Antivirals Against Coronaviruses: Modeling the Binding Mechanisms of Repurposed Drugs to the Sars-Cov-2 RNA-Dependent RNA Polymerase F Byléhn, C Menéndez, GP Lemus, W Alvarado, J De Pablo 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Molecular dynamics simulations as a tool for the study and structure-guided engineering of type III interferons W Grubbe, F Byléhn, W Alvarado, J Mendoza, J De Pablo APS March Meeting Abstracts 2022, N00. 266, 2022 | | 2022 |
| Modeling the reactivity of the catalytic cage of triosephosphate isomerase Y Kulkarni, Q Liao, D Petrovic, F Bylehn, J Richard, S Kamerlin ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
