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Nick Leioatts
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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
892014
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
592012
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
532014
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
482018
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
392014
Beam position determination using tracks
T Miao, F Yumiceva, H Wenzel, N Leioatts
CERN-CMS-NOTE-2007-021, 2007
332007
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
222013
Retinal conformation changes rhodopsin’s dynamic ensemble
N Leioatts, TD Romo, SA Danial, A Grossfield
Biophysical Journal 109 (3), 608-617, 2015
112015
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
92014
Understanding Thermodynamics of Conformational Change in the F-ATPase
N Leioatts, H Grubmüller
Biophysical Journal 108 (2), 58a, 2015
22015
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
12014
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
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Articles 1–20