| Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models PA Kollman, I Massova, C Reyes, B Kuhn, S Huo, L Chong, M Lee, T Lee, ... Accounts of chemical research 33 (12), 889-897, 2000 | 5251 | 2000 |
| A suite of tutorials for the WESTPA rare-events sampling software [Article v1. 0] AT Bogetti, B Mostofian, A Dickson, AJ Pratt, AS Saglam, PO Harrison, ... Living journal of computational molecular science 1 (2), 2019 | 812 | 2019 |
| A glycan gate controls opening of the SARS-CoV-2 spike protein T Sztain, SH Ahn, AT Bogetti, L Casalino, JA Goldsmith, E Seitz, ... Nature chemistry 13 (10), 963-968, 2021 | 335 | 2021 |
| Weighted ensemble simulation: review of methodology, applications, and software DM Zuckerman, LT Chong Annual review of biophysics 46 (1), 43-57, 2017 | 324 | 2017 |
| Molecular dynamics and free-energy calculations applied to affinity maturation in antibody 48G7 LT Chong, Y Duan, L Wang, I Massova, PA Kollman Proceedings of the National Academy of Sciences 96 (25), 14330-14335, 1999 | 322 | 1999 |
| Selective, tight-binding inhibitors of integrin α4β1 that inhibit allergic airway responses KC Lin, HS Ateeq, SH Hsiung, LT Chong, CN Zimmerman, A Castro, ... Journal of medicinal chemistry 42 (5), 920-934, 1999 | 269 | 1999 |
| 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 | 205 | 2016 |
| Reaching biological timescales with all-atom molecular dynamics simulations MC Zwier, LT Chong Current opinion in pharmacology 10 (6), 745-752, 2010 | 204 | 2010 |
| AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics L Casalino, AC Dommer, Z Gaieb, EP Barros, T Sztain, SH Ahn, A Trifan, ... The International Journal of High Performance Computing Applications 35 (5 …, 2021 | 179 | 2021 |
| WESTPA: An interoperable, highly scalable software package for weighted ensemble simulation and analysis MC Zwier, JL Adelman, JW Kaus, AJ Pratt, KF Wong, NB Rego, E Suárez, ... Journal of chemical theory and computation 11 (2), 800-809, 2015 | 162 | 2015 |
| 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 | 125 | 2014 |
| Path-sampling strategies for simulating rare events in biomolecular systems LT Chong, AS Saglam, DM Zuckerman Current opinion in structural biology 43, 88-94, 2017 | 117 | 2017 |
| Efficient atomistic simulation of pathways and calculation of rate constants for a protein–peptide binding process: Application to the MDM2 protein and an intrinsically … MC Zwier, AJ Pratt, JL Adelman, JW Kaus, DM Zuckerman, LT Chong The journal of physical chemistry letters 7 (17), 3440-3445, 2016 | 107 | 2016 |
| Simultaneous computation of dynamical and equilibrium information using a weighted ensemble of trajectories E Suárez, S Lettieri, MC Zwier, SR Subramanian, LT Chong, ... Biophysical Journal 106 (2), 406a, 2014 | 106 | 2014 |
| Computation of electrostatic complements to proteins: A case of charge stabilized binding LT Chong, SE Dempster, ZS Hendsch, LP Lee, B Tidor Protein science 7 (1), 206-210, 1998 | 92 | 1998 |
| # COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol A Dommer, L Casalino, F Kearns, M Rosenfeld, N Wauer, SH Ahn, ... The international journal of high performance computing applications 37 (1 …, 2023 | 80 | 2023 |
| Protein–protein binding pathways and calculations of rate constants using fully-continuous, explicit-solvent simulations AS Saglam, LT Chong Chemical science 10 (8), 2360-2372, 2019 | 80 | 2019 |
| Simulations of the alternating access mechanism of the sodium symporter Mhp1 JL Adelman, AL Dale, MC Zwier, D Bhatt, LT Chong, DM Zuckerman, ... Biophysical journal 101 (10), 2399-2407, 2011 | 69 | 2011 |
| WESTPA 2.0: High-performance upgrades for weighted ensemble simulations and analysis of longer-timescale applications JD Russo, S Zhang, JMG Leung, AT Bogetti, JP Thompson, AJ DeGrave, ... Journal of Chemical Theory and Computation 18 (2), 638-649, 2022 | 66 | 2022 |
| The native GCN4 leucine-zipper domain does not uniquely specify a dimeric oligomerization state KM Oshaben, R Salari, DR McCaslin, LT Chong, WS Horne Biochemistry 51 (47), 9581-9591, 2012 | 60 | 2012 |
Anthony T. BogettiPostdoc in the labs of Prof. Ivet Bahar and Prof. Ken Dill | Laufer Center | SBUایمیل تأیید شده در stonybrook.edu
