| Ab initio molecular dynamics: Concepts, recent developments, and future trends R Iftimie, P Minary, ME Tuckerman Proceedings of the National Academy of Sciences 102 (19), 6654-6659, 2005 | 364 | 2005 |
| On the use of the adiabatic molecular dynamics technique in the calculation of free energy profiles L Rosso, P Mináry, Z Zhu, ME Tuckerman The Journal of chemical physics 116 (11), 4389-4402, 2002 | 269 | 2002 |
| Tuning cytokine receptor signaling by re-orienting dimer geometry with surrogate ligands I Moraga, G Wernig, S Wilmes, V Gryshkova, CP Richter, WJ Hong, ... Cell 160 (6), 1196-1208, 2015 | 159 | 2015 |
| Long time molecular dynamics for enhanced conformational sampling in biomolecular systems P Minary, ME Tuckerman, GJ Martyna Physical review letters 93 (15), 150201, 2004 | 124 | 2004 |
| Modeling nucleic acids AYL Sim, P Minary, M Levitt Current opinion in structural biology 22 (3), 273-278, 2012 | 116 | 2012 |
| Algorithms and novel applications based on the isokinetic ensemble. I. Biophysical and path integral molecular dynamics P Minary, GJ Martyna, ME Tuckerman The Journal of chemical physics 118 (6), 2510-2526, 2003 | 105 | 2003 |
| A new reciprocal space based treatment of long range interactions on surfaces P Minary, ME Tuckerman, KA Pihakari, GJ Martyna The Journal of chemical physics 116 (13), 5351-5362, 2002 | 86 | 2002 |
| Modeling and design by hierarchical natural moves AYL Sim, M Levitt, P Minary Proceedings of the National Academy of Sciences 109 (8), 2890-2895, 2012 | 56 | 2012 |
| Probing protein fold space with a simplified model P Minary, M Levitt Journal of molecular biology 375 (4), 920-933, 2008 | 45 | 2008 |
| Non-linear response and hydrogen bond dynamics for electron solvation in methanol L Turi, P Mináry, PJ Rossky Chemical Physics Letters 316 (5-6), 465-470, 2000 | 44 | 2000 |
| Nonadiabatic molecular dynamics simulation of photoexcitation experiments for the solvated electron in methanol P Mináry, L Turi, PJ Rossky The Journal of chemical physics 110 (22), 10953-10962, 1999 | 42 | 1999 |
| A comprehensive liquid simulation study of neat formic acid P Minary, P Jedlovszky, M Mezei, L Turi The Journal of Physical Chemistry B 104 (34), 8287-8294, 2000 | 40 | 2000 |
| Conformational optimization with natural degrees of freedom: a novel stochastic chain closure algorithm P Minary, M Levitt Journal of Computational Biology 17 (8), 993-1010, 2010 | 37 | 2010 |
| Multiscale natural moves refine macromolecules using single-particle electron microscopy projection images J Zhang, P Minary, M Levitt Proceedings of the National Academy of Sciences 109 (25), 9845-9850, 2012 | 35 | 2012 |
| Reaction Pathway of the [4+ 2] Diels− Alder Adduct Formation on Si (100)-2× 1 P Minary, ME Tuckerman Journal of the American Chemical Society 126 (43), 13920-13921, 2004 | 32 | 2004 |
| Dynamical spatial warping: A novel method for the conformational sampling of biophysical structure P Minary, ME Tuckerman, GJ Martyna SIAM Journal on Scientific Computing 30 (4), 2055-2083, 2008 | 31 | 2008 |
| Training-free atomistic prediction of nucleosome occupancy P Minary, M Levitt Proceedings of the National Academy of Sciences 111 (17), 6293-6298, 2014 | 30 | 2014 |
| Reaction Mechanism of cis-1,3-Butadiene Addition to the Si(100)-2 × 1 Surface P Minary, ME Tuckerman Journal of the American Chemical Society 127 (4), 1110-1111, 2005 | 29 | 2005 |
| Long range interactions on wires: A reciprocal space based formalism P Mináry, JA Morrone, DA Yarne, ME Tuckerman, GJ Martyna The Journal of chemical physics 121 (23), 11949-11956, 2004 | 29 | 2004 |
| Algorithms and novel applications based on the isokinetic ensemble. II. Ab initio molecular dynamics P Minary, GJ Martyna, ME Tuckerman The Journal of chemical physics 118 (6), 2527-2538, 2003 | 29 | 2003 |
Glenn MartynaPimpernel Science, Software and Information TechnologyVerified email at pimpernelllc.com
