| MDTraj: a modern open library for the analysis of molecular dynamics trajectories RT McGibbon, KA Beauchamp, MP Harrigan, C Klein, JM Swails, ... Biophysical journal 109 (8), 1528-1532, 2015 | 1798 | 2015 |
| OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation PK Eastman, MS Friedrichs, JD Chodera, RJ Radmer, CM Bruns, JP Ku, ... Journal of Chemical Theory and Computation, 0 | 701 | |
| To milliseconds and beyond: challenges in the simulation of protein folding TJ Lane, D Shukla, KA Beauchamp, VS Pande Current opinion in structural biology 23 (1), 58-65, 2013 | 440 | 2013 |
| MSMBuilder2: modeling conformational dynamics on the picosecond to millisecond scale KA Beauchamp, GR Bowman, TJ Lane, L Maibaum, IS Haque, VS Pande Journal of chemical theory and computation 7 (10), 3412-3419, 2011 | 422 | 2011 |
| Structure of photosystem II and substrate binding at room temperature ID Young, M Ibrahim, R Chatterjee, S Gul, FD Fuller, S Koroidov, ... Nature 540 (7633), 453-457, 2016 | 382 | 2016 |
| Imaging molecular motion: Femtosecond x-ray scattering of an electrocyclic chemical reaction MP Minitti, JM Budarz, A Kirrander, JS Robinson, D Ratner, TJ Lane, ... Physical review letters 114 (25), 255501, 2015 | 336 | 2015 |
| Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser P Nogly, T Weinert, D James, S Carbajo, D Ozerov, A Furrer, D Gashi, ... Science 361 (6398), eaat0094, 2018 | 332 | 2018 |
| X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease S Günther, PYA Reinke, Y Fernández-García, J Lieske, TJ Lane, HM Ginn, ... Science 372 (6542), 642-646, 2021 | 281 | 2021 |
| Markov state model reveals folding and functional dynamics in ultra-long MD trajectories TJ Lane, GR Bowman, K Beauchamp, VA Voelz, VS Pande Journal of the American Chemical Society 133 (45), 18413-18419, 2011 | 203 | 2011 |
| Experimental observation of the liquid-liquid transition in bulk supercooled water under pressure KH Kim, K Amann-Winkel, N Giovambattista, A Späh, F Perakis, H Pathak, ... Science 370 (6519), 978-982, 2020 | 200 | 2020 |
| Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography N Coquelle, M Sliwa, J Woodhouse, G Schirò, V Adam, A Aquila, ... Nature Chemistry 10 (1), 31-37, 2018 | 194 | 2018 |
| Liquid explosions induced by X-ray laser pulses CA Stan, D Milathianaki, H Laksmono, RG Sierra, TA McQueen, ... Nature Physics 12 (10), 966-971, 2016 | 157 | 2016 |
| Mechanism and dynamics of fatty acid photodecarboxylase D Sorigué, K Hadjidemetriou, S Blangy, G Gotthard, A Bonvalet, ... Science 372 (6538), eabd5687, 2021 | 126 | 2021 |
| Electron ghost imaging S Li, F Cropp, K Kabra, TJ Lane, G Wetzstein, P Musumeci, D Ratner Physical review letters 121 (11), 114801, 2018 | 118 | 2018 |
| OnDA: online data analysis and feedback for serial X-ray imaging V Mariani, A Morgan, CH Yoon, TJ Lane, TA White, C O'Grady, M Kuhn, ... Journal of applied crystallography 49 (3), 1073-1080, 2016 | 111 | 2016 |
| Ultrafast X-ray scattering reveals vibrational coherence following Rydberg excitation B Stankus, H Yong, N Zotev, JM Ruddock, D Bellshaw, TJ Lane, M Liang, ... Nature chemistry 11 (8), 716-721, 2019 | 96 | 2019 |
| Linac Coherent Light Source data analysis using psana D Damiani, M Dubrovin, I Gaponenko, W Kroeger, TJ Lane, A Mitra, ... Journal of Applied Crystallography 49 (2), 672-679, 2016 | 87 | 2016 |
| Quantification of the layer of hydration of a supported lipid bilayer TJ Zwang, WR Fletcher, TJ Lane, MS Johal Langmuir 26 (7), 4598-4601, 2010 | 83 | 2010 |
| Coherent X-rays reveal the influence of cage effects on ultrafast water dynamics F Perakis, G Camisasca, TJ Lane, A Späh, KT Wikfeldt, JA Sellberg, ... Nature communications 9 (1), 1917, 2018 | 80 | 2018 |
| Enhancement and maximum in the isobaric specific-heat capacity measurements of deeply supercooled water using ultrafast calorimetry H Pathak, A Späh, N Esmaeildoost, JA Sellberg, KH Kim, F Perakis, ... Proceedings of the National Academy of Sciences 118 (6), e2018379118, 2021 | 69 | 2021 |
Vijay PandeAndreessen Horowitz, Stanford University在 stanford.edu 的电子邮件经过验证
