Michael J. Schnieders
Michael J. Schnieders
Associate Professor of Biomedical Engineering and Biochemistry, The University of Iowa
Adresse e-mail validée de uiowa.edu - Page d'accueil
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Current status of the AMOEBA polarizable force field
JW Ponder, C Wu, P Ren, VS Pande, JD Chodera, MJ Schnieders, ...
The Journal of Physical Chemistry B 114 (8), 2549-2564, 2010
9852010
Remeasuring the double helix
RS Mathew-Fenn, R Das, PAB Harbury
Science 322 (5900), 446-449, 2008
196*2008
Biomolecular electrostatics and solvation: a computational perspective
P Ren, J Chun, DG Thomas, MJ Schnieders, M Marucho, J Zhang, ...
Quarterly reviews of biophysics 45 (4), 427-491, 2012
1392012
Trypsin‐ligand binding free energies from explicit and implicit solvent simulations with polarizable potential
D Jiao, J Zhang, RE Duke, G Li, MJ Schnieders, P Ren
Journal of computational chemistry 30 (11), 1701-1711, 2009
1162009
Tinker 8: software tools for molecular design
JA Rackers, Z Wang, C Lu, ML Laury, L Lagardère, MJ Schnieders, ...
Journal of chemical theory and computation 14 (10), 5273-5289, 2018
1092018
Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum
MJ Schnieders, NA Baker, P Ren, JW Ponder
The Journal of chemical physics 126 (12), 03B623, 2007
1002007
Assessment of protein structure refinement in CASP9
JL MacCallum, A Pérez, MJ Schnieders, L Hua, MP Jacobson, KA Dill
Proteins: Structure, Function, and Bioinformatics 79 (S10), 74-90, 2011
902011
Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields
L Lagardère, LH Jolly, F Lipparini, F Aviat, B Stamm, ZF Jing, M Harger, ...
Chemical science 9 (4), 956-972, 2018
772018
The structure, thermodynamics, and solubility of organic crystals from simulation with a polarizable force field
MJ Schnieders, J Baltrusaitis, Y Shi, G Chattree, L Zheng, W Yang, P Ren
Journal of chemical theory and computation 8 (5), 1721-1736, 2012
772012
Polarizable atomic multipole solutes in a generalized Kirkwood continuum
MJ Schnieders, JW Ponder
Journal of chemical theory and computation 3 (6), 2083-2097, 2007
742007
Assessment of the protein‐structure refinement category in CASP8
JL MacCallum, L Hua, MJ Schnieders, VS Pande, MP Jacobson, KA Dill
Proteins: Structure, Function, and Bioinformatics 77 (S9), 66-80, 2009
712009
Scalable evaluation of polarization energy and associated forces in polarizable molecular dynamics: I. toward massively parallel direct space computations
F Lipparini, L Lagardère, B Stamm, E Cancès, M Schnieders, P Ren, ...
Journal of Chemical Theory and Computation 10 (4), 1638-1651, 2014
652014
High-throughput genetic testing for thrombotic microangiopathies and C3 glomerulopathies
F Bu, NG Borsa, MB Jones, E Takanami, C Nishimura, JJ Hauer, H Azaiez, ...
Journal of the American Society of Nephrology 27 (4), 1245-1253, 2016
612016
Polarizable atomic multipole X-ray refinement: application to peptide crystals
MJ Schnieders, TD Fenn, VS Pande, AT Brunger
Acta Crystallographica Section D: Biological Crystallography 65 (9), 952-965, 2009
552009
Genomic landscape and mutational signatures of deafness-associated genes
H Azaiez, KT Booth, SS Ephraim, B Crone, EA Black-Ziegelbein, ...
The American Journal of Human Genetics 103 (4), 484-497, 2018
502018
Hypomorphic mutations in TRNT1 cause retinitis pigmentosa with erythrocytic microcytosis
AP DeLuca, SS Whitmore, J Barnes, TP Sharma, TA Westfall, CA Scott, ...
Human molecular genetics 25 (1), 44-56, 2016
492016
Scalable evaluation of polarization energy and associated forces in polarizable molecular dynamics: II. Toward massively parallel computations using smooth particle mesh Ewald
L Lagardere, F Lipparini, E Polack, B Stamm, E Cances, M Schnieders, ...
Journal of chemical theory and computation 11 (6), 2589-2599, 2015
412015
Polarizable atomic multipole X-ray refinement: Particle mesh Ewald electrostatics for macromolecular crystals
MJ Schnieders, TD Fenn, VS Pande
Journal of Chemical Theory and Computation 7 (4), 1141-1156, 2011
402011
Polarizable force fields for biomolecular modeling
Y Shi, P Ren, M Schnieders, JP Piquemal
Reviews in computational chemistry 28 (51), 2015
352015
Polarizable molecular dynamics in a polarizable continuum solvent
F Lipparini, L Lagardère, C Raynaud, B Stamm, E Cancès, B Mennucci, ...
Journal of chemical theory and computation 11 (2), 623-634, 2015
352015
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