| The power of coarse graining in biomolecular simulations HI Ingólfsson, CA Lopez, JJ Uusitalo, DH de Jong, SM Gopal, X Periole, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 225-248, 2014 | 598 | 2014 |
| PRIMO/PRIMONA: A coarse‐grained model for proteins and nucleic acids that preserves near‐atomistic accuracy SM Gopal, S Mukherjee, YM Cheng, M Feig Proteins: Structure, Function, and Bioinformatics 78 (5), 1266-1281, 2010 | 116 | 2010 |
| PRIMO: a transferable coarse-grained force field for proteins P Kar, SM Gopal, YM Cheng, A Predeus, M Feig Journal of chemical theory and computation 9 (8), 3769-3788, 2013 | 99 | 2013 |
| Conformational sampling of peptides in the presence of protein crowders from AA/CG-multiscale simulations AV Predeus, S Gul, SM Gopal, M Feig The Journal of Physical Chemistry B 116 (29), 8610-8620, 2012 | 58 | 2012 |
| A peptidic unconjugated GRP78/BiP ligand modulates the unfolded protein response and induces prostate cancer cell death D Maddalo, A Neeb, K Jehle, K Schmitz, C Muhle-Goll, L Shatkina, ... PloS one 7 (10), 2012 | 49 | 2012 |
| Solvent effects on ligand binding to a serine protease SM Gopal, F Klumpers, C Herrmann, LV Schäfer Physical Chemistry Chemical Physics 19 (17), 10753-10766, 2017 | 34 | 2017 |
| Transferring the PRIMO coarse-grained force field to the membrane environment: Simulations of membrane proteins and helix–helix association P Kar, SM Gopal, YM Cheng, A Panahi, M Feig Journal of chemical theory and computation 10 (8), 3459-3472, 2014 | 31 | 2014 |
| Systematic evaluation of bundled SPC water for biomolecular simulations SM Gopal, AB Kuhn, LV Schäfer Physical Chemistry Chemical Physics 17 (13), 8393-8406, 2015 | 28 | 2015 |
| Thermodynamic and kinetic characterization of transmembrane helix association AB Pawar, SA Deshpande, SM Gopal, TA Wassenaar, CA Athale, ... Physical Chemistry Chemical Physics 17 (2), 1390-1398, 2015 | 26 | 2015 |
| Conformational Preferences of an Intrinsically Disordered Protein Domain: A Case Study for Modern Force Fields SM Gopal, S Wingbermühle, J Schnatwinkel, S Juber, C Herrmann, ... The Journal of Physical Chemistry B, 2020 | 25 | 2020 |
| On Using Atomistic Solvent Layers in Hybrid All-Atom/Coarse-Grained Molecular Dynamics Simulations AB Kuhn, SM Gopal, LV Schäfer Journal of chemical theory and computation 11 (9), 4460-4472, 2015 | 25 | 2015 |
| De Novo Folding of the DNA‐Binding ATF‐2 Zinc Finger Motif in an All‐Atom Free‐Energy Forcefield SM Gopal, W Wenzel Angewandte Chemie 118 (46), 7890-7892, 2006 | 17 | 2006 |
| All‐atom de novo protein folding with a scalable evolutionary algorithm A Verma, SM Gopal, JS Oh, KH Lee, W Wenzel Journal of computational chemistry 28 (16), 2552-2558, 2007 | 15 | 2007 |
| α-Aminoisobutyric Acid-Stabilized Peptide SAMs with Low Nonspecific Protein Adsorption and Resistance against Marine Biofouling CD Beyer, ML Reback, SM Gopal, KA Nolte, JA Finlay, AS Clare, ... ACS Sustainable Chemistry & Engineering 8 (7), 2665-2671, 2020 | 13 | 2020 |
| Template‐free protein structure prediction and quality assessment with an all‐atom free‐energy model SM Gopal, K Klenin, W Wenzel Proteins: Structure, Function, and Bioinformatics 77 (2), 330-341, 2009 | 11 | 2009 |
| Massively Parallel All Atom Protein Folding in a Single Day. A Verma, SM Gopal, A Schug, JS Oh, KV Klenin, KH Lee, W Wenzel PARCO, 527-534, 2007 | 9 | 2007 |
| Lipid-dependent Conformational Landscape of the ErbB2 Growth Factor Receptor Dimers SM Gopal, AB Pawar, TA Wassenaar, D Sengupta Chemistry and Physics of Lipids, 104911, 2020 | 8 | 2020 |
| Molecular dynamics trajectory compression with a coarse-grained model YM Cheng, SM Gopal, SM Law, M Feig IEEE/ACM transactions on computational biology and bioinformatics 9 (2), 476-486, 2011 | 8 | 2011 |
| Conformational Sampling in Structure Prediction and Refinement with Atomistic and Coarse-Grained Models M Feig, SM Gopal, K Vadivel, A Stumpff-Kane Multiscale Approaches to Protein Modeling, 85-109, 2011 | 7 | 2011 |
| All-atom protein folding with free-energy forcefields A Verma, SM Gopal, A Schug, T Herges, K Klenin, W Wenzel Progress in molecular biology and translational science 83, 181-253, 2008 | 5 | 2008 |
