Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model KT Debiec, DS Cerutti, LR Baker, AM Gronenborn, DA Case, LT Chong Journal of Chemical Theory and Computation 12 (8), 3926-3947, 2016 | 190 | 2016 |
Evaluating the strength of salt bridges: a comparison of current biomolecular force fields KT Debiec, AM Gronenborn, LT Chong The Journal of Physical Chemistry B 118 (24), 6561-6569, 2014 | 116 | 2014 |
Direct visualization of HIV-1 with correlative live-cell microscopy and cryo-electron tomography S Jun, D Ke, K Debiec, G Zhao, X Meng, Z Ambrose, GA Gibson, ... Structure 19 (11), 1573-1581, 2011 | 104 | 2011 |
In vivo structure–activity relationship studies support allosteric targeting of a dual specificity phosphatase VN Korotchenko, M Saydmohammed, LL Vollmer, A Bakan, K Sheetz, ... ChemBioChem 15 (10), 1436-1445, 2014 | 62 | 2014 |
Integrating NMR, SAXS, and atomistic simulations: structure and dynamics of a two-domain protein KT Debiec, MJ Whitley, LMI Koharudin, LT Chong, AM Gronenborn Biophysical Journal 114 (4), 839-855, 2018 | 22 | 2018 |
A twist in the road less traveled: The AMBER ff15ipq-m force field for protein mimetics AT Bogetti, HE Piston, JMG Leung, CC Cabalteja, DT Yang, AJ DeGrave, ... The Journal of chemical physics 153 (6), 2020 | 19 | 2020 |
Structural insight into fungal cell wall recognition by a CVNH protein with a single LysM domain LMI Koharudin, KT Debiec, AM Gronenborn Structure 23 (11), 2143-2154, 2015 | 15 | 2015 |
Links between the charge model and bonded parameter force constants in biomolecular force fields DS Cerutti, KT Debiec, DA Case, LT Chong The Journal of chemical physics 147 (16), 2017 | 3 | 2017 |
Integration of NMR and SAXS with Atomistic Simulations for Characterizing the Structure and Dynamics of Multi-Domain Proteins K Debiec University of Pittsburgh, 2017 | | 2017 |