| Ligand configurational entropy and protein binding CA Chang, W Chen, MK Gilson Proceedings of the National Academy of Sciences 104 (5), 1534-1539, 2007 | 479 | 2007 |
| Calculation of cyclodextrin binding affinities: energy, entropy, and implications for drug design W Chen, CE Chang, MK Gilson Biophysical Journal 87 (5), 3035-3049, 2004 | 290 | 2004 |
| Free energy, entropy, and induced fit in host− guest recognition: calculations with the second-generation mining minima algorithm CE Chang, MK Gilson Journal of the American Chemical Society 126 (40), 13156-13164, 2004 | 257 | 2004 |
| Evaluating the accuracy of the quasiharmonic approximation CE Chang, W Chen, MK Gilson Journal of Chemical Theory and Computation 1 (5), 1017-1028, 2005 | 222 | 2005 |
| Endosidin2 targets conserved exocyst complex subunit EXO70 to inhibit exocytosis C Zhang, MQ Brown, W Van De Ven, ZM Zhang, B Wu, MC Young, ... Proceedings of the National Academy of Sciences 113 (1), E41-E50, 2016 | 154 | 2016 |
| Potential mean force from umbrella sampling simulations: what can we learn and what is missed? W You, Z Tang, CEA Chang Journal of chemical theory and computation 15 (4), 2433-2443, 2019 | 150 | 2019 |
| Tork: Conformational analysis method for molecules and complexes CE Chang, MK Gilson Journal of computational chemistry 24 (16), 1987-1998, 2003 | 142 | 2003 |
| Flap opening dynamics in HIV-1 protease explored with a coarse-grained model V Tozzini, J Trylska, C Chang, JA McCammon Journal of structural biology 157 (3), 606-615, 2007 | 141 | 2007 |
| Structural basis for selective activation of ABA receptors FC Peterson, ES Burgie, SY Park, DR Jensen, JJ Weiner, CA Bingman, ... Nature structural & molecular biology 17 (9), 1109-1113, 2010 | 128 | 2010 |
| The influence of macromolecular crowding on HIV-1 protease internal dynamics DDL Minh, C Chang, J Trylska, V Tozzini, JA McCammon Journal of the American Chemical Society 128 (18), 6006-6007, 2006 | 113 | 2006 |
| Proflavine acts as a Rev inhibitor by targeting the high-affinity Rev binding site of the Rev responsive element of HIV-1 ES DeJong, C Chang, MK Gilson, JP Marino Biochemistry 42 (26), 8035-8046, 2003 | 101 | 2003 |
| HIV-1 protease substrate binding and product release pathways explored with coarse-grained molecular dynamics J Trylska, V Tozzini, AC Chia-en, JA McCammon Biophysical journal 92 (12), 4179-4187, 2007 | 99 | 2007 |
| Gated binding of ligands to HIV-1 protease: Brownian dynamics simulations in a coarse-grained model CE Chang, T Shen, J Trylska, V Tozzini, JA McCammon Biophysical journal 90 (11), 3880-3885, 2006 | 98 | 2006 |
| Calculation of molecular configuration integrals CE Chang, MJ Potter, MK Gilson The Journal of Physical Chemistry B 107 (4), 1048-1055, 2003 | 94 | 2003 |
| ARGONAUTE PIWI domain and microRNA duplex structure regulate small RNA sorting in Arabidopsis X Zhang, DD Niu, A Carbonell, A Wang, A Lee, V Tun, Z Wang, ... Nature communications 5 (1), 5468, 2014 | 91 | 2014 |
| X-ray and NMR crystallography in an enzyme active site: the indoline quinonoid intermediate in tryptophan synthase J Lai, D Niks, Y Wang, T Domratcheva, TRM Barends, F Schwarz, ... Journal of the American Chemical Society 133 (1), 4-7, 2011 | 91 | 2011 |
| Entropic contributions and the influence of the hydrophobic environment in promiscuous protein–protein association CA Chang, WA McLaughlin, R Baron, W Wang, JA McCammon Proceedings of the National Academy of Sciences 105 (21), 7456-7461, 2008 | 87 | 2008 |
| Heterogeneous CPU+ GPU-enabled simulations for DFTB molecular dynamics of large chemical and biological systems SI Allec, Y Sun, J Sun, CA Chang, BM Wong Journal of chemical theory and computation 15 (5), 2807-2815, 2019 | 85 | 2019 |
| Binding pathways of ligands to HIV‐1 protease: coarse‐grained and atomistic simulations CEA Chang, J Trylska, V Tozzini, J Andrew McCammon Chemical biology & drug design 69 (1), 5-13, 2007 | 83 | 2007 |
| Tuning enzyme kinetics through designed intermolecular interactions far from the active site Y Gao, CC Roberts, J Zhu, JL Lin, CA Chang, I Wheeldon Acs Catalysis 5 (4), 2149-2153, 2015 | 75 | 2015 |
