Tensor propagator for iterative quantum time evolution of reduced density matrices. I. Theory N Makri, DE Makarov The Journal of chemical physics 102 (11), 4600-4610, 1995 | 783* | 1995 |
van der Waals energies in density functional theory W Kohn, Y Meir, DE Makarov Physical review letters 80 (19), 4153, 1998 | 660 | 1998 |
Molecular nanosprings in spider capture-silk threads N Becker, E Oroudjev, S Mutz, JP Cleveland, PK Hansma, CY Hayashi, ... Nature materials 2 (4), 278-283, 2003 | 466 | 2003 |
Chemical Dynamics at Low Temperatures, Volume 88 VA Benderskii, DE Makarov, CA Wight John Wiley & Sons, 2009 | 403 | 2009 |
Path integrals for dissipative systems by tensor multiplication. Condensed phase quantum dynamics for arbitrarily long time DE Makarov, N Makri Chemical physics letters 221 (5-6), 482-491, 1994 | 363 | 1994 |
Quantifying internal friction in unfolded and intrinsically disordered proteins with single-molecule spectroscopy A Soranno, B Buchli, D Nettels, RR Cheng, S Müller-Späth, SH Pfeil, ... Proceedings of the National Academy of Sciences 109 (44), 17800-17806, 2012 | 361 | 2012 |
The topomer search model: A simple, quantitative theory of two‐state protein folding kinetics DE Makarov, KW Plaxco Protein Science 12 (1), 17-26, 2003 | 220 | 2003 |
How the folding rate constant of simple, single-domain proteins depends on the number of native contacts DE Makarov, CA Keller, KW Plaxco, H Metiu Proceedings of the National Academy of Sciences 99 (6), 3535-3539, 2002 | 194 | 2002 |
Molecular catch bonds and the anti-Hammond effect in polymer mechanochemistry SSM Konda, JN Brantley, BT Varghese, KM Wiggins, CW Bielawski, ... Journal of the American Chemical Society 135 (34), 12722-12729, 2013 | 154 | 2013 |
Quantum dynamics in low-temperature chemistry VA Benderskii, VI Goldanskii, DE Makarov Physics reports 233 (4-5), 195-339, 1993 | 150 | 1993 |
Chemical reactions modulated by mechanical stress: extended Bell theory SSM Konda, JN Brantley, CW Bielawski, DE Makarov The Journal of chemical physics 135 (16), 2011 | 148 | 2011 |
Generalized path integral based quantum transition state theory G Mills, GK Schenter, DE Makarov, H Jónsson Chemical Physics Letters 278 (1-3), 91-96, 1997 | 135 | 1997 |
Long-time quantum simulation of the primary charge separation in bacterial photosynthesis. N Makri, E Sim, DE Makarov, M Topaler Proceedings of the National Academy of Sciences 93 (9), 3926-3931, 1996 | 130 | 1996 |
A harmonic transition state approximation for the duration of reactive events in complex molecular rearrangements S Chaudhury, DE Makarov The Journal of chemical physics 133 (3), 2010 | 114 | 2010 |
Concerted dihedral rotations give rise to internal friction in unfolded proteins I Echeverria, DE Makarov, GA Papoian Journal of the American Chemical Society 136 (24), 8708-8713, 2014 | 113 | 2014 |
Integrated view of internal friction in unfolded proteins from single-molecule FRET, contact quenching, theory, and simulations A Soranno, A Holla, F Dingfelder, D Nettels, DE Makarov, B Schuler Biophysical Journal 112 (3), 318a, 2017 | 112 | 2017 |
Perspective: Mechanochemistry of biological and synthetic molecules DE Makarov The Journal of chemical physics 144 (3), 2016 | 108 | 2016 |
Theoretical studies of the mechanical unfolding of the muscle protein titin: bridging the time-scale gap between simulation and experiment PC Li, DE Makarov The Journal of chemical physics 119 (17), 9260-9268, 2003 | 106 | 2003 |
Single-molecule electrophoresis of β-hairpin peptides by electrical recordings and Langevin dynamics simulations CP Goodrich, S Kirmizialtin, BM Huyghues-Despointes, A Zhu, JM Scholtz, ... The Journal of Physical Chemistry B 111 (13), 3332-3335, 2007 | 105 | 2007 |
Transition path times of coupled folding and binding reveal the formation of an encounter complex F Sturzenegger, F Zosel, ED Holmstrom, KJ Buholzer, DE Makarov, ... Nature communications 9 (1), 4708, 2018 | 101 | 2018 |