Lightweight object oriented structure analysis: tools for building tools to analyze molecular dynamics simulations TD Romo, N Leioatts, A Grossfield Journal of computational chemistry 35 (32), 2305-2318, 2014 | 93 | 2014 |
Elastic network models are robust to variations in formalism N Leioatts, TD Romo, A Grossfield Journal of chemical theory and computation 8 (7), 2424-2434, 2012 | 62 | 2012 |
Retinal ligand mobility explains internal hydration and reconciles active rhodopsin structures N Leioatts, B Mertz, K Martínez-Mayorga, TD Romo, MC Pitman, SE Feller, ... Biochemistry 53 (2), 376-385, 2014 | 53 | 2014 |
Lipids alter rhodopsin function via ligand-like and solvent-like interactions LA Salas-Estrada, N Leioatts, TD Romo, A Grossfield Biophysical journal 114 (2), 355-367, 2018 | 50 | 2018 |
Structural basis of G protein-coupled receptor-Gi protein interaction: formation of the cannabinoid CB2 receptor-Gi protein complex JS Mnpotra, Z Qiao, J Cai, DL Lynch, A Grossfield, N Leioatts, DP Hurst, ... Journal of Biological Chemistry 289 (29), 20259-20272, 2014 | 39 | 2014 |
Beam position determination using tracks T Miao, F Yumiceva, H Wenzel, N Leioatts CERN-CMS-NOTE-2007-021, 2007 | 35 | 2007 |
The interplay of structure and dynamics: Insights from a survey of HIV‐1 reverse transcriptase crystal structures JM Seckler, N Leioatts, H Miao, A Grossfield Proteins: Structure, Function, and Bioinformatics 81 (10), 1792-1801, 2013 | 22 | 2013 |
Retinal conformation changes rhodopsin’s dynamic ensemble N Leioatts, TD Romo, SA Danial, A Grossfield Biophysical Journal 109 (3), 608-617, 2015 | 11 | 2015 |
Structure‐based simulations reveal concerted dynamics of GPCR activation N Leioatts, P Suresh, TD Romo, A Grossfield Proteins: Structure, Function, and Bioinformatics 82 (10), 2538-2551, 2014 | 9 | 2014 |
Understanding Thermodynamics of Conformational Change in the F-ATPase N Leioatts, H Grubmüller Biophysical Journal 108 (2), 58a, 2015 | 2 | 2015 |
Activation of inhibitory G protein catalyzed by GPCR: molecular dynamics simulations of the activated cannabinoid CB2 receptor/Gαi1β1γ2 protein complex J Singh, D Lynch, A Grossfield, N Leioatts, M Pitman, P Reggio Biophysical Journal 106 (2), 717a, 2014 | 1 | 2014 |
Asymmetric ATP Hydrolysis Kinetics of ABCE1 Explained with a Markov State Model M Schäffner, N Leioatts, CA Smith, H Leonov, BL de Groot, H Grubmueller Biophysical Journal 118 (3), 206a, 2020 | | 2020 |
Lipids alter rhodopsin function via solvent-like and ligand-like interactions L Salas, N Leioatts, A Grossfield ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
Understanding the Effect of Polyunsaturated Fatty Acids on Rhodopsin using All-Atom Molecular Dynamics Simulations L Salas, N Leioatts, TD Romo, A Grossfield Biophysical Journal 110 (3), 382a, 2016 | | 2016 |
Towards a complete quantitative model of the FOF1 ATP synthase N Leioatts, H Grubmueller EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 44, S94-S94, 2015 | | 2015 |
Simulating Membranes and Membrane Proteins N Leioatts, A Grossfield Molecular Modeling at the Atomic Scale, 243, 2014 | | 2014 |
Molecular dynamics simulations of the activated cannabinoid CB2 receptor in complex with the inhibitory Gai1 beta 1 gamma 2 protein J Singh, D Lynch, A Grossfield, N Leioatts, M Pitman, P Reggio ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 247, 2014 | | 2014 |
Retinal Makes Concerted Conformational Changes During Early Stages of Rhodopsin Activation N Leioatts, B Mertz, K Martínez-Mayorga, TD Romo, MC Pitman, SE Feller, ... Biophysical Journal 106 (2), 54a, 2014 | | 2014 |
All-Atom Simulations Reveal Ensemble Dynamics of Rhodopsin N Leioatts, TD Romo, A Grossfield Biophysical Journal 106 (2), 307a, 2014 | | 2014 |
Simple Models Characterize the Activation of G Protein-Coupled Receptors P Suresh, N Leioatts, A Grossfield Biophysical Journal 106 (2), 51a, 2014 | | 2014 |