| All-atom empirical potential for molecular modeling and dynamics studies of proteins AD MacKerrell, D Bashford, M Bellott, RL Dunbrack, JD Evanseck, ... J. Phys. Chem. B 102, 3586-3616, 1998 | 16147 | 1998 |
| Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer’s Disease, Parkinson’s Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis PH Nguyen, A Ramamoorthy, BR Sahoo, J Zheng, P Faller, JE Straub, ... Chemical Reviews 121 (4), 2545-2647, 2021 | 557 | 2021 |
| Classical and modern methods in reaction rate theory BJ Berne, M Borkovec, JE Straub The Journal of Physical Chemistry 92 (13), 3711-3725, 1988 | 482 | 1988 |
| Monomer adds to preformed structured oligomers of Aβ-peptides by a two-stage dock–lock mechanism PH Nguyen, MS Li, G Stock, JE Straub, D Thirumalai Proceedings of the National Academy of Sciences 104 (1), 111-116, 2007 | 416 | 2007 |
| Role of water in protein aggregation and amyloid polymorphism D Thirumalai, G Reddy, JE Straub Accounts of chemical research 45 (1), 83-92, 2011 | 353 | 2011 |
| Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction CR Baiz, B Błasiak, J Bredenbeck, M Cho, JH Choi, SA Corcelli, ... Chemical Reviews 120 (15), 7152-7218, 2020 | 322 | 2020 |
| Toward a molecular theory of early and late events in monomer to amyloid fibril formation JE Straub, D Thirumalai Annual review of physical chemistry 62, 437-463, 2011 | 296 | 2011 |
| Novel methods of sampling phase space in the simulation of biological systems BJ Berne, JE Straub Current Opinion in Structural Biology 7 (2), 181-189, 1997 | 282 | 1997 |
| Self-consistent parameterization of biomolecules for molecular modeling and condensed phase simulations AD Mackerell, D Bashford, M Bellott, RL Dunbrack, MJ Field, S Fischer, ... Faseb Journal 6 (1), A143-A143, 1992 | 257 | 1992 |
| Dynamics of Asp23-Lys28 salt-bridge formation in Aβ10-35 monomers B Tarus, JE Straub, D Thirumalai Journal of the American Chemical Society 128 (50), 16159-16168, 2006 | 244 | 2006 |
| A molecular switch in amyloid assembly: Met35 and amyloid β-protein oligomerization G Bitan, B Tarus, SS Vollers, HA Lashuel, MM Condron, JE Straub, ... Journal of the American Chemical Society 125 (50), 15359-15365, 2003 | 239 | 2003 |
| Entropic stabilization of proteins by TMAO SS Cho, G Reddy, JE Straub, D Thirumalai The Journal of Physical Chemistry B 115 (45), 13401-13407, 2011 | 226 | 2011 |
| Generalized simulated annealing algorithms using Tsallis statistics: Application to conformational optimization of a tetrapeptide I Andricioaei, JE Straub Physical Review E 53 (4), R3055, 1996 | 209 | 1996 |
| Non‐Markovian activated rate processes: Comparison of current theories with numerical simulation data JE Straub, M Borkovec, BJ Berne The Journal of Chemical Physics 84 (3), 1788-1794, 1986 | 205 | 1986 |
| Molecular dynamics study of the photodissociation of carbon monoxide from myoglobin: ligand dynamics in the first 10 ps JE Straub, M Karplus Chemical physics 158 (2-3), 221-248, 1991 | 201 | 1991 |
| Calculation of dynamic friction on intramolecular degrees of freedom JE Straub, M Borkovec, BJ Berne Journal of Physical Chemistry 91 (19), 4995-4998, 1987 | 190 | 1987 |
| Aqueous urea solution destabilizes Aβ16–22 oligomers DK Klimov, JE Straub, D Thirumalai Proceedings of the National Academy of Sciences 101 (41), 14760-14765, 2004 | 188 | 2004 |
| Influence of Preformed Asp23− Lys28 Salt Bridge on the Conformational Fluctuations of Monomers and Dimers of Aβ Peptides with Implications for Rates of Fibril Formation G Reddy, JE Straub, D Thirumalai The Journal of Physical Chemistry B 113 (4), 1162-1172, 2009 | 181 | 2009 |
| Global energy minimum searches using an approximate solution of the imaginary time Schrödinger equation P Amara, D Hsu, JE Straub The Journal of Physical Chemistry 97 (25), 6715-6721, 1993 | 168 | 1993 |
| The MaxFlux algorithm for calculating variationally optimized reaction paths for conformational transitions in many body systems at finite temperature S Huo, JE Straub The Journal of chemical physics 107 (13), 5000-5006, 1997 | 167 | 1997 |
Devarajan ThirumalaiUniversity of Texas at AustinVerified email at umd.edu