| Improved parameters for the martini coarse-grained protein force field DH de Jong, G Singh, WFD Bennett, C Arnarez, TA Wassenaar, ... Journal of chemical theory and computation 9 (1), 687-697, 2013 | 1333 | 2013 |
| Lipid–protein interactions are unique fingerprints for membrane proteins V Corradi, E Mendez-Villuendas, HI Ingólfsson, RX Gu, I Siuda, MN Melo, ... ACS central science 4 (6), 709-717, 2018 | 286 | 2018 |
| Interactions of key charged residues contributing to selective block of neuronal sodium channels by μ-conotoxin KIIIA JR McArthur, G Singh, D McMaster, R Winkfein, DP Tieleman, RJ French Molecular Pharmacology 80 (4), 573-584, 2011 | 54 | 2011 |
| Using the Wimley–White hydrophobicity scale as a direct quantitative test of force fields: the Martini coarse-grained model G Singh, DP Tieleman Journal of Chemical Theory and Computation 7 (7), 2316-2324, 2011 | 51 | 2011 |
| Changes in the dynamics of the cardiac troponin C molecule explain the effects of Ca2+-sensitizing mutations CM Stevens, K Rayani, G Singh, B Lotfalisalmasi, DP Tieleman, ... Journal of Biological Chemistry 292 (28), 11915-11926, 2017 | 43 | 2017 |
| Peptide aggregation in finite systems G Singh, I Brovchenko, A Oleinikova, R Winter Biophysical journal 95 (7), 3208-3221, 2008 | 41 | 2008 |
| Orientation of μ-conotoxin PIIIA in a sodium channel vestibule, based on voltage dependence of its binding JR McArthur, G Singh, ML O'Mara, D McMaster, V Ostroumov, ... Molecular Pharmacology 80 (2), 219-227, 2011 | 31 | 2011 |
| The Human Transporter Associated with Antigen Processing MOLECULAR MODELS TO DESCRIBE PEPTIDE BINDING COMPETENT STATES V Corradi, G Singh, DP Tieleman Journal of Biological Chemistry 287 (33), 28099-28111, 2012 | 30 | 2012 |
| Conformational Changes of the Antibacterial Peptide ATP Binding Cassette Transporter McjD Revealed by Molecular Dynamics Simulations RX Gu, V Corradi, G Singh, HG Choudhury, K Beis, DP Tieleman Biochemistry 54 (38), 5989-5998, 2015 | 29 | 2015 |
| Aggregation of Amyloidogenic Peptides near Hydrophobic and Hydrophilic Surfaces I Brovchenko, G Singh, R Winter Langmuir 25 (14), 8111-8116, 2009 | 23 | 2009 |
| Effect of confinement on DNA, solvent and counterion dynamics in a model biological nanopore S Markosyan, PM De Biase, L Czapla, O Samoylova, G Singh, J Cuervo, ... Nanoscale 6 (15), 9006-9016, 2014 | 20 | 2014 |
| Characterization of Zebrafish Cardiac and Slow Skeletal Troponin C Paralogs by MD Simulation and ITC CM Stevens, K Rayani, CE Genge, G Singh, B Liang, JM Roller, C Li, ... Biophysical Journal 111 (1), 38-49, 2016 | 18 | 2016 |
| Functional divergence in teleost cardiac troponin paralogs guides variation in the interaction of TnI switch region with TnC CE Genge, CM Stevens, WS Davidson, G Singh, D Peter Tieleman, ... Genome biology and evolution 8 (4), 994-1011, 2016 | 16 | 2016 |
| Two-dimensional potentials of mean force of Nile red in intact and damaged model bilayers. Application to calculations of fluorescence spectra G Singh, AC Chamberlin, HR Zhekova, SY Noskov, DP Tieleman Journal of chemical theory and computation 12 (1), 364-371, 2016 | 16 | 2016 |
| Atomistic simulations of Wimley-White Pentapeptides: sampling of structure and dynamics in solution G Singh, DP Tieleman Journal of Chemical Theory and Computation 9 (3), 2013 | 9 | 2013 |
| Demixing Transition of the Aqueous Solution of Amyloidogenic Peptides: A REMD Simulation Study G Singh, I Brovchenko, A Oleinikova, R Winter The Journal of Physical Chemistry B 113 (29), 9863-9870, 2009 | 9 | 2009 |
| The temperature dependence of the heat capacity of hydration water near biosurfaces from molecular simulations A Oleinikova, I Brovchenko, G Singh EPL (Europhysics Letters) 90 (3), 36001, 2010 | 8 | 2010 |
| Aggregation of fragments of the islet amyloid polypeptide as a phase transition: a cluster analysis G Singh, I Brovchenko, A Oleinikova, R Winter NIC series 36, 275-278, 2007 | 5 | 2007 |
| Conformational Changes of the ABC Transporter McjD Revealed by Molecular Dynamics Simulations RX Gu, V Corradi, G Singh, K Beis, P Tieleman Biophysical Journal 108 (2), 89a, 2015 | 1 | 2015 |
| Investigating the domain motions of an asymmetric ABC transporter (997.1) P Tieleman, V Corradi, G Singh, M Seeger The FASEB Journal 28 (1_supplement), 997.1, 2014 | 1 | 2014 |
