| Position of the Third Na+ Site in the Aspartate Transporter GltPh and the Human Glutamate Transporter, EAAT1 T Bastug, G Heinzelmann, S Kuyucak, M Salim, RJ Vandenberg, ... PloS one 7 (3), e33058, 2012 | 84 | 2012 |
| Automation of absolute protein-ligand binding free energy calculations for docking refinement and compound evaluation G Heinzelmann, MK Gilson Scientific reports 11 (1), 1116, 2021 | 74* | 2021 |
| A potent and selective peptide blocker of the Kv1. 3 channel: prediction from free-energy simulations and experimental confirmation MH Rashid, G Heinzelmann, R Huq, RB Tajhya, SC Chang, S Chhabra, ... PloS one 8 (11), e78712, 2013 | 68 | 2013 |
| Attach-pull-release calculations of ligand binding and conformational changes on the first BRD4 bromodomain G Heinzelmann, NM Henriksen, MK Gilson Journal of chemical theory and computation 13 (7), 3260-3275, 2017 | 63 | 2017 |
| Free energy simulations of ligand binding to the aspartate transporter GltPh G Heinzelmann, T Baştuğ, S Kuyucak Biophysical journal 101 (10), 2380-2388, 2011 | 45 | 2011 |
| Mechanism and Energetics of Ligand Release in the Aspartate Transporter GltPh G Heinzelmann, T Bastug, S Kuyucak The Journal of Physical chemistry B 117 (18), 5486-5496, 2013 | 36 | 2013 |
| Computation of standard binding free energies of polar and charged ligands to the glutamate receptor GluA2 G Heinzelmann, PC Chen, S Kuyucak The Journal of Physical Chemistry B 118 (7), 1813-1824, 2014 | 30 | 2014 |
| Na+ interactions with the neutral amino acid transporter ASCT1 AJ Scopelliti, G Heinzelmann, S Kuyucak, RM Ryan, RJ Vandenberg Journal of Biological Chemistry 289 (25), 17468-17479, 2014 | 24 | 2014 |
| Molecular dynamics simulations of the mammalian glutamate transporter EAAT3 G Heinzelmann, S Kuyucak PLoS One 9 (3), e92089, 2014 | 24 | 2014 |
| AFM in-situ characterization of supported phospholipid layers formed by vesicle fusion ML Munford, VR Lima, TO Vieira, G Heinzelmann, TB Creczynski-Pasa, ... Microscopy and Microanalysis 11 (S03), 90-93, 2005 | 21 | 2005 |
| Molecular dynamics simulations elucidate the mechanism of proton transport in the glutamate transporter EAAT3 G Heinzelmann, S Kuyucak Biophysical Journal 106 (12), 2675-2683, 2014 | 20 | 2014 |
| Absolute binding free energy calculations improve enrichment of actives in virtual compound screening M Feng, G Heinzelmann, MK Gilson Scientific Reports 12 (1), 13640, 2022 | 15 | 2022 |
| Computational studies of glutamate transporters J Setiadi, G Heinzelmann, S Kuyucak Biomolecules 5 (4), 3067-3086, 2015 | 9 | 2015 |
| Micellar dynamics and water–water hydrogen-bonding from temperature-jump Monte Carlo simulations G Heinzelmann, W Figueiredo, M Girardi Chemical Physics Letters 550, 83-87, 2012 | 9 | 2012 |
| Calculation of free energy changes due to mutations from alchemical free energy simulations MH Rashid, G Heinzelmann, S Kuyucak Journal of Theoretical and Computational Chemistry 14 (03), 1550023, 2015 | 8 | 2015 |
| Monte Carlo simulations for amphiphilic aggregation near a water phase transition G Heinzelmann, W Figueiredo, M Girardi The Journal of chemical physics 131 (14), 2009 | 8 | 2009 |
| Interplay between micelle formation and waterlike phase transitions G Heinzelmann, W Figueiredo, M Girardi The Journal of chemical physics 132 (6), 2010 | 6 | 2010 |
| Shedding Light on the Hydrolysis Mechanism of cis, trans-[Ru(dmso)4Cl2] Complexes and Their Interactions with DNA—A Computational Perspective KF Andriani, G Heinzelmann, GF Caramori The Journal of Physical Chemistry B 123 (2), 457-467, 2018 | 5 | 2018 |
| Orientational dynamics for an amphiphilic-solvent solution G Heinzelmann, W Figueiredo, M Girardi The Journal of chemical physics 134 (6), 2011 | 5 | 2011 |
| Dynamics of micelle formation from temperature-jump Monte Carlo simulations G Heinzelmann, P Seide Jr, W Figueiredo Physical Review E 92 (5), 052305, 2015 | 4 | 2015 |
Michael K GilsonUniversity of California San DiegoE-mail confirmado em health.ucsd.edu
