| Block-localized wavefunction (BLW) method at the density functional theory (DFT) level Y Mo, L Song, Y Lin The Journal of Physical Chemistry A 111 (34), 8291-8301, 2007 | 285 | 2007 |
| Molecular dynamics simulations on the Escherichia coli ammonia channel protein AmtB: mechanism of ammonia/ammonium transport Y Lin, Z Cao, Y Mo Journal of the American Chemical Society 128 (33), 10876-10884, 2006 | 90 | 2006 |
| An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions Y Lin, A Baumketner, S Deng, Z Xu, D Jacobs, W Cai The Journal of chemical physics 131 (15), 2009 | 57 | 2009 |
| Steric strain versus hyperconjugative stabilization in ethane congeners L Song, Y Lin, W Wu, Q Zhang, Y Mo The Journal of Physical Chemistry A 109 (10), 2310-2316, 2005 | 55 | 2005 |
| Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase X Zhang, R Wu, L Song, Y Lin, M Lin, Z Cao, W Wu, Y Mo Journal of computational chemistry 30 (15), 2388-2401, 2009 | 50 | 2009 |
| Ionic solvation studied by image-charge reaction field method Y Lin, A Baumketner, W Song, S Deng, D Jacobs, W Cai The Journal of Chemical Physics 134 (4), 2011 | 32 | 2011 |
| Protein allostery at the solid–liquid interface: endoglucanase attachment to cellulose affects glucan clenching in the binding cleft Y Lin, J Silvestre-Ryan, ME Himmel, MF Crowley, GT Beckham, JW Chu Journal of the American Chemical Society 133 (41), 16617-16624, 2011 | 29 | 2011 |
| Block-localized wavefunction (BLW) based two-state approach for charge transfers between phenyl rings Y Mo, L Song, Y Lin, M Liu, Z Cao, W Wu Journal of Chemical Theory and Computation 8 (3), 800-805, 2012 | 25 | 2012 |
| Functional Role of Asp160 and the Deprotonation Mechanism of Ammonium in the Escherichia coli Ammonia Channel Protein AmtB Y Lin, Z Cao, Y Mo The Journal of Physical Chemistry B 113 (14), 4922-4929, 2009 | 24 | 2009 |
| Limit and Burst Pressures for a Cylindrical Vessel With a 30 deg—Lateral d/D⩾ 0.5 ZF Sang, YJ Lin, LP Xue, GEO Widera J. Pressure Vessel Technol. 127 (1), 61-69, 2005 | 21 | 2005 |
| “fluctuograms” reveal the intermittent intra-protein communication in subtilisin carlsberg and correlate mechanical coupling with co-evolution J Silvestre-Ryan, Y Lin, JW Chu PLoS Computational Biology 7 (3), e1002023, 2011 | 20 | 2011 |
| BLOCK-LOCALIZED WAVEFUNCTION ENERGY DECOMPOSITION (BLW-ED) ANALYSIS OF σ/π INTERACTIONS IN METAL-CARBONYL BONDING K Nakashima, X Zhang, M XIANG, Y LIN, M LIN, Y MO Journal of Theoretical and Computational Chemistry 7 (4), 639-654, 2008 | 19 | 2008 |
| In silico identification of EGFR-T790M inhibitors with novel scaffolds: start with extraction of common features M Xiang, K Lei, W Fan, Y Lin, G He, M Yang, L Chen, Y Mo Drug design, development and therapy, 789-839, 2013 | 18 | 2013 |
| Endoglucanase peripheral loops facilitate complexation of glucan chains on cellulose via adaptive coupling to the emergent substrate structures Y Lin, GT Beckham, ME Himmel, MF Crowley, JW Chu The Journal of Physical Chemistry B 117 (37), 10750-10758, 2013 | 16 | 2013 |
| Correlation between biological activity and binding energy in systems of integrin with cyclic RGD-containing binders: a QM/MM molecular dynamics study M Xiang, Y Lin, G He, L Chen, M Yang, S Yang, Y Mo Journal of molecular modeling 18, 4917-4927, 2012 | 10 | 2012 |
| Effect of the reaction field on molecular forces and torques revealed by an image-charge solvation model W Song, Y Lin, A Baumketner, S Deng, W Cai, DJ Jacobs Communications in computational physics 13 (1), 129-149, 2013 | 9 | 2013 |
| ICSM: An order N method for calculating electrostatic interactions added to TINKER K Baker, A Baumketner, Y Lin, S Deng, D Jacobs, W Cai Computer physics communications 184 (1), 19-26, 2013 | 6 | 2013 |
| 反射模式与线性模式 MALDI-TOF MS 联合分析荔枝果核缩合单宁 周海超， 林益明， 柴纬明， 魏淑东， 廖蒙蒙 化学学报 69 (24), 2981, 2011 | 2 | 2011 |
| Confining corkscrew oscillations by using an alternate solenoid field S Jinshui, L Yuzheng, D Bonan High Power Laser and Particle Beams 13, 2001 | 1 | 2001 |
| Transport Mechanism in the Escherichia coli Ammonia Channel AmtB: A Computational Study Y Mo, Z Cao, Y Lin Kinetics and Dynamics: From Nano-to Bio-Scale, 397-429, 2010 | | 2010 |
Gregg T. BeckhamNational Renewable Energy LaboratoryEmail confirmado em nrel.gov
