| Dynamics and number of trans-SNARE complexes determine nascent fusion pore properties H Bao, D Das, NA Courtney, Y Jiang, JS Briguglio, X Lou, D Roston, ... Nature 554 (7691), 260-263, 2018 | 122 | 2018 |
| Molecular simulation of water and hydration effects in different environments: Challenges and developments for DFTB based models P Goyal, HJ Qian, S Irle, X Lu, D Roston, T Mori, M Elstner, Q Cui The Journal of Physical Chemistry B 118 (38), 11007-11027, 2014 | 118 | 2014 |
| Elusive transition state of alcohol dehydrogenase unveiled D Roston, A Kohen Proceedings of the National Academy of Sciences 107 (21), 9572-9577, 2010 | 86 | 2010 |
| Hydrogen donor–acceptor fluctuations from kinetic isotope effects: A phenomenological model D Roston, CM Cheatum, A Kohen Biochemistry 51 (34), 6860-6870, 2012 | 84 | 2012 |
| Isotope effects as probes for enzyme catalyzed hydrogen-transfer reactions D Roston, Z Islam, A Kohen Molecules 18 (5), 5543-5567, 2013 | 80 | 2013 |
| Regulation and plasticity of catalysis in enzymes: insights from analysis of mechanochemical coupling in myosin X Lu, V Ovchinnikov, D Demapan, D Roston, Q Cui Biochemistry 56 (10), 1482-1497, 2017 | 42 | 2017 |
| Leaving group ability observably affects transition state structure in a single enzyme active site D Roston, D Demapan, Q Cui Journal of the American Chemical Society 138 (23), 7386-7394, 2016 | 42 | 2016 |
| Substrate and transition state binding in alkaline phosphatase analyzed by computation of oxygen isotope effects D Roston, Q Cui Journal of the American Chemical Society 138 (36), 11946-11957, 2016 | 37 | 2016 |
| A critical test of the “tunneling and coupled motion” concept in enzymatic alcohol oxidation D Roston, A Kohen Journal of the American Chemical Society 135 (37), 13624-13627, 2013 | 37 | 2013 |
| Extensive free-energy simulations identify water as the base in nucleotide addition by DNA polymerase D Roston, D Demapan, Q Cui Proceedings of the National Academy of Sciences 116 (50), 25048-25056, 2019 | 28 | 2019 |
| Simulations of remote mutants of dihydrofolate reductase reveal the nature of a network of residues coupled to hydride transfer D Roston, A Kohen, D Doron, DT Major Journal of computational chemistry 35 (19), 1411-1417, 2014 | 27 | 2014 |
| Kinetic isotope effects as a probe of hydrogen transfers to and from common enzymatic cofactors D Roston, Z Islam, A Kohen Archives of biochemistry and biophysics 544, 96-104, 2014 | 27 | 2014 |
| Experimental and theoretical studies of enzyme-catalyzed hydrogen-transfer reactions Z Wang, D Roston, A Kohen Advances in protein chemistry and structural biology 87, 155-180, 2012 | 27 | 2012 |
| Structural and mechanistic basis for preferential deadenylation of U6 snRNA by Usb1 Y Nomura, D Roston, EJ Montemayor, Q Cui, SE Butcher Nucleic acids research 46 (21), 11488-11501, 2018 | 24 | 2018 |
| QM/MM analysis of transition states and transition state analogues in metalloenzymes D Roston, Q Cui Methods in enzymology 577, 213-250, 2016 | 21 | 2016 |
| Computational Replication of the Abnormal Secondary Kinetic Isotope Effects in a Hydride Transfer Reaction in Solution with a Motion Assisted H-Tunneling Model S Kashefolgheta, M Razzaghi, B Hammann, J Eilers, D Roston, Y Lu The Journal of Organic Chemistry 79 (5), 1989-1994, 2014 | 20 | 2014 |
| Specificity landscapes unmask submaximal binding site preferences of transcription factors D Bhimsaria, JA Rodríguez-Martínez, J Pan, D Roston, EN Korkmaz, ... Proceedings of the National Academy of Sciences 115 (45), E10586-E10595, 2018 | 18 | 2018 |
| Analysis of phosphoryl-transfer enzymes with QM/MM free energy simulations D Roston, X Lu, D Fang, D Demapan, Q Cui Methods in enzymology 607, 53-90, 2018 | 13 | 2018 |
| Bacterial H-NS contacts DNA at the same irregularly spaced sites in both bridged and hemi-sequestered linear filaments BA Shen, CM Hustmyer, D Roston, MB Wolfe, R Landick Iscience 25 (6), 2022 | 12 | 2022 |
| Kinetic isotope effects in enzymes A Kohen, D Roston, V Stojković, Z Wang Encyclopedia of Analytical Chemistry: Applications, Theory and Instrumentation, 2006 | 9 | 2006 |
Qiang CuiBoston University (previously University of Wisconsin, Madison)Verified email at bu.edu