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
TitreCitée parAnnée
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
8722010
Remeasuring the double helix
RS Mathew-Fenn, R Das, PAB Harbury
Science 322 (5900), 446-449, 2008
173*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
1182012
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
1092009
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
952007
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
882011
Polarizable atomic multipole solutes in a generalized Kirkwood continuum
MJ Schnieders, JW Ponder
Journal of chemical theory and computation 3 (6), 2083-2097, 2007
692007
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
682012
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
662009
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
542014
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
492016
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
492009
Tinker 8: software tools for molecular design
JA Rackers, Z Wang, C Lu, ML Laury, L Lagardere, MJ Schnieders, ...
Journal of chemical theory and computation 14 (10), 5273-5289, 2018
472018
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, 2015
402015
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
382011
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
372015
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
362018
Polarizable force fields for biomolecular modeling
Y Shi, P Ren, M Schnieders, JP Piquemal
Reviews in Computational Chemistry 28 (51), 2015
302015
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
292015
Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration
TD Fenn, MJ Schnieders, M Mustyakimov, C Wu, P Langan, VS Pande, ...
Structure 19 (4), 523-533, 2011
292011
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