| CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues S Jo, X Cheng, SM Islam, L Huang, H Rui, A Zhu, HS Lee, Y Qi, W Han, ... Advances in protein chemistry and structural biology 96, 235-265, 2014 | 238 | 2014 |
| Conformational dynamics of ligand-dependent alternating access in LeuT K Kazmier, S Sharma, M Quick, SM Islam, B Roux, H Weinstein, ... Nature structural & molecular biology 21 (5), 472-479, 2014 | 141 | 2014 |
| Cryo-EM structures of the magnesium channel CorA reveal symmetry break upon gating D Matthies, O Dalmas, MJ Borgnia, PK Dominik, A Merk, P Rao, ... Cell 164 (4), 747-756, 2016 | 128 | 2016 |
| Structural refinement from restrained-ensemble simulations based on EPR/DEER data: application to T4 lysozyme SM Islam, RA Stein, HS Mchaourab, B Roux The journal of physical chemistry B 117 (17), 4740-4754, 2013 | 101 | 2013 |
| Conformational cycle and ion-coupling mechanism of the Na+/hydantoin transporter Mhp1 K Kazmier, S Sharma, SM Islam, B Roux, HS Mchaourab Proceedings of the National Academy of Sciences 111 (41), 14752-14757, 2014 | 88 | 2014 |
| Restrained-ensemble molecular dynamics simulations based on distance histograms from double electron–electron resonance spectroscopy B Roux, SM Islam The Journal of Physical Chemistry B 117 (17), 4733-4739, 2013 | 74 | 2013 |
| Simulating the distance distribution between spin-labels attached to proteins SM Islam, B Roux The Journal of Physical Chemistry B 119 (10), 3901-3911, 2015 | 56 | 2015 |
| Dynamics transitions at the outer vestibule of the KcsA potassium channel during gating H Raghuraman, SM Islam, S Mukherjee, B Roux, E Perozo Proceedings of the National Academy of Sciences 111 (5), 1831-1836, 2014 | 56 | 2014 |
| Synthesis of allylic alcohols via Cu-catalyzed hydrocarbonylative coupling of alkynes with alkyl halides LJ Cheng, SM Islam, NP Mankad Journal of the American Chemical Society 140 (3), 1159-1164, 2018 | 55 | 2018 |
| Cooperative heterobimetallic substrate activation enhances catalytic activity and amplifies regioselectivity in 1, 4-hydroboration of pyridines HC Yu, SM Islam, NP Mankad ACS Catalysis 10 (6), 3670-3675, 2020 | 50 | 2020 |
| An in Silico Approach for Identification of Novel Inhibitors as Potential Therapeutics Targeting COVID-19 Main Protease B Havrenick, SM Islam Journal of Biomolecular Structure and Dynamics, 2020 | 43 | 2020 |
| Viscosity and excess viscosity of dilute aqueous solutions of ethylenediamine, trimethylenediamine and N, N-dimethyltrimethylenediamine MA Saleh, MS Ahmed, MS Islam Physics and Chemistry of Liquids 40 (4), 477-490, 2002 | 40 | 2002 |
| Structural refinement of proteins by restrained molecular dynamics simulations with non-interacting molecular fragments R Shen, W Han, G Fiorin, SM Islam, K Schulten, B Roux PLoS computational biology 11 (10), e1004368, 2015 | 31 | 2015 |
| Performance of the SCC-DFTB model for description of five-membered ring carbohydrate conformations: comparison to force fields, high-level electronic structure methods, and … SM Islam, PN Roy Journal of chemical theory and computation 8 (7), 2412-2423, 2012 | 31 | 2012 |
| Synthesis of Spirocyclic 1‐Pyrrolines from Nitrones and Arynes through a Dearomative [3, 3′]‐Sigmatropic Rearrangement AS Alshreimi, G Zhang, TW Reidl, RL Peña, NG Koto, SM Islam, DJ Wink, ... Angewandte Chemie International Edition 59 (35), 15244-15248, 2020 | 28 | 2020 |
| Comparison of the standard 6-31G and binning-curtiss basis sets for third row elements SM Islam, SD Huelin, M Dawe, RA Poirier Journal of Chemical Theory and Computation 4 (1), 86-100, 2008 | 28 | 2008 |
| A New Insight into Using Chlorine Leaving Group and Nucleophile Carbon Kinetic Isotope Effects To Determine Substituent Effects on the Structure of SN2 … KC Westaway, Y Fang, S MacMillar, O Matsson, RA Poirier, SM Islam The Journal of Physical Chemistry A 111 (33), 8110-8120, 2007 | 28 | 2007 |
| Conformational analysis of oligoarabinofuranosides: Overcoming torsional barriers with umbrella sampling SM Islam, MR Richards, HA Taha, SC Byrns, TL Lowary, PN Roy Journal of Chemical Theory and Computation 7 (9), 2989-3000, 2011 | 26 | 2011 |
| CHARMM‐GUI DEER facilitator for spin‐pair distance distribution calculations and preparation of restrained‐ensemble molecular dynamics simulations Y Qi, J Lee, X Cheng, R Shen, SM Islam, B Roux, W Im Journal of Computational Chemistry 41 (5), 415-420, 2020 | 25 | 2020 |
| New Insights into the Bromination Reaction for a Series of Alkenes A Computational Study SM Islam, RA Poirier The Journal of Physical Chemistry A 111 (50), 13218-13232, 2007 | 23 | 2007 |
Benoit RouxProfessor of Biochemistry, The university of ChicagoVerified email at uchicago.edu
