| Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways KJ Kohlhoff, D Shukla, M Lawrenz, GR Bowman, DE Konerding, D Belov, ... Nature chemistry 6 (1), 15-21, 2014 | 461 | 2014 |
| Independent-trajectories thermodynamic-integration free-energy changes for biomolecular systems: determinants of H5N1 avian influenza virus neuraminidase inhibition by peramivir M Lawrenz, R Baron, JA McCammon Journal of chemical theory and computation 5 (4), 1106-1116, 2009 | 105 | 2009 |
| Impact of calcium on N1 influenza neuraminidase dynamics and binding free energy M Lawrenz, J Wereszczynski, R Amaro, R Walker, A Roitberg, ... Proteins: Structure, Function, and Bioinformatics 78 (11), 2523-2532, 2010 | 66 | 2010 |
| Cloud computing approaches for prediction of ligand binding poses and pathways M Lawrenz, D Shukla, VS Pande Scientific reports 5 (1), 7918, 2015 | 64 | 2015 |
| A network of molecular switches controls the activation of the two-component response regulator NtrC DK Vanatta, D Shukla, M Lawrenz, VS Pande Nature communications 6 (1), 7283, 2015 | 46 | 2015 |
| Porous protein frameworks with unsaturated metal centers in sterically encumbered coordination sites RJ Radford, M Lawrenz, PC Nguyen, JA McCammon, FA Tezcan Chemical Communications 47 (1), 313-315, 2011 | 41 | 2011 |
| Thermodynamic integration to predict host-guest binding affinities M Lawrenz, J Wereszczynski, JM Ortiz-Sánchez, SE Nichols, ... Journal of computer-aided molecular design 26 (5), 569-576, 2012 | 40 | 2012 |
| Effects of biomolecular flexibility on alchemical calculations of absolute binding free energies M Lawrenz, R Baron, Y Wang, JA McCammon Journal of chemical theory and computation 7 (7), 2224-2232, 2011 | 23 | 2011 |
| Independent-trajectory thermodynamic integration: a practical guide to protein-drug binding free energy calculations using distributed computing M Lawrenz, R Baron, Y Wang, JA McCammon Computational Drug Discovery and Design, 469-486, 2012 | 18 | 2012 |
| Elucidating ligand-modulated conformational landscape of gpcrs using cloud-computing approaches D Shukla, M Lawrenz, VS Pande Methods in enzymology 557, 551-572, 2015 | 15 | 2015 |
| Molecular modeling study of binding to the catalytic site of PDE4 enzymes by a novel class of inhibitors ME Lawrenz, EA Salter, A Wierzbicki, WJ Thompson International journal of quantum chemistry 105 (4), 410-415, 2005 | 8 | 2005 |
| Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways. Nat Chem 6: 15–21 KJ Kohlhoff, D Shukla, M Lawrenz, GR Bowman, DE Konerding, D Belov, ... | 5 | 1821 |
| Application of new informatics tools for identifying allosteric lead ligands of the c-Src kinase LX Peng, M Lawrenz, D Shukla, GW Tang, VS Pande, RB Altman bioRxiv, 038323, 2016 | 1 | 2016 |
| Correction: Corrigendum: Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways KJ Kohlhoff, D Shukla, M Lawrenz, GR Bowman, DE Konerding, D Belov, ... Nature Chemistry 7 (9), 759-759, 2015 | 1 | 2015 |
| Using computational alchemy to predict protein-ligand binding free energies M Lawrenz University of California, San Diego, 2011 | 1 | 2011 |
| Elucidating Protein Structures in the Gas Phase: Traversing Configuration Space with Biasing Methods VD Gandhi, L Hua, M Lawrenz, M Latif, AD Rolland, IDG Campuzano, ... Journal of Chemical Theory and Computation 20 (21), 9720-9733, 2024 | | 2024 |
| Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways (vol 6, pg 15, 2014) KJ Kohlhoff, D Shukla, M Lawrenz, GR Bowman, DE Konerding, D Belov, ... NATURE CHEMISTRY 7 (9), 2015 | | 2015 |
| Investigating Ligand-Modulation of GPCR Activation Pathways M Lawrenz, K Kohlhoff, D Shukla, G Bowman, R Altman, V Pande Biophysical Journal 106 (2), 14a, 2014 | | 2014 |
| Impact of calcium on N1 influenza neuraminidase dynamics and free energy of binding M Lawrenz, J Wereszczynski, A McCammon ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 239, 2010 | | 2010 |
