Kate Stafford
Kate Stafford
Senior Scientist, Atomwise
Verified email at atomwise.com
Title
Cited by
Cited by
Year
Efficient reversal of Alzheimer's disease fibril formation and elimination of neurotoxicity by a small molecule
BJ Blanchard, A Chen, LM Rozeboom, KA Stafford, P Weigele, VM Ingram
Proceedings of the National Academy of Sciences of the United States ofá…, 2004
1812004
Interpreting protein structural dynamics from NMR chemical shifts
P Robustelli, KA Stafford, AG Palmer III
Journal of the American Chemical Society 134 (14), 6365-6374, 2012
1052012
A scalable parallel framework for analyzing terascale molecular dynamics simulation trajectories
T Tu, CA Rendleman, DW Borhani, RO Dror, J Gullingsrud, MO Jensen, ...
High Performance Computing, Networking, Storage and Analysis, 2008. SC 2008á…, 2008
1002008
Automated event detection and activity monitoring in long molecular dynamics simulations
W Wriggers, KA Stafford, Y Shan, S Piana, P Maragakis, K Lindorff-Larsen, ...
Journal of Chemical Theory and Computation 5 (10), 2595-2605, 2009
512009
Equipartition and the calculation of temperature in biomolecular simulations
MP Eastwood, KA Stafford, RA Lippert, Mě Jensen, P Maragakis, ...
Journal of chemical theory and computation 6 (7), 2045-2058, 2010
392010
Thermostability of enzymes from molecular dynamics simulations
T Zeiske, KA Stafford, AG Palmer III
Journal of chemical theory and computation 12 (6), 2489-2492, 2016
262016
Thermal adaptation of conformational dynamics in ribonuclease H
KA Stafford, P Robustelli, AG Palmer III
PLoS computational biology 9 (10), e1003218, 2013
252013
Starting‐structure dependence of nanosecond timescale intersubstate transitions and reproducibility of MD‐derived order parameters
T Zeiske, KA Stafford, RA Friesner, AG Palmer III
Proteins: Structure, Function, and Bioinformatics 81 (3), 499-509, 2013
222013
Application of computer simulation free-energy methods to compute the free energy of micellization as a function of micelle composition. 2. implementation
BC Stephenson, KA Stafford, KJ Beers, D Blankschtein
The Journal of Physical Chemistry B 112 (6), 1641-1656, 2008
202008
Application of computer simulation free-energy methods to compute the free energy of micellization as a function of micelle composition. 1. theory
BC Stephenson, KA Stafford, KJ Beers, D Blankschtein
The Journal of Physical Chemistry B 112 (6), 1634-1640, 2008
152008
Side Chain Dynamics of Carboxyl and Carbonyl Groups in the Catalytic Function of Escherichia coli Ribonuclease H
KA Stafford, F Ferrage, JH Cho, AG Palmer III
Journal of the American Chemical Society 135 (48), 18024-18027, 2013
122013
Conformational preferences underlying reduced activity of a thermophilic ribonuclease H
KA Stafford, N Trbovic, JA Butterwick, R Abel, RA Friesner, AG Palmer III
Journal of molecular biology 427 (4), 853-866, 2015
92015
Stochastic pairwise alignments and scoring methods for comparative protein structure modeling
AC Marko, K Stafford, T Wymore
Journal of chemical information and modeling 47 (3), 1263-1270, 2007
92007
Evidence from molecular dynamics simulations of conformational preorganization in the ribonuclease H active site
KA Stafford, AG Palmer III
F1000Research 3, 2014
82014
Modeling protein flexibility with conformational sampling improves ligand pose and bioactivity prediction
K Stafford, J Sorenson, I Wallach
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
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K Stafford, A Palmer III
F1000Research 5 (300), 300, 2016
2016
Evidence from molecular dynamics simulations of
KA Stafford, AG Palmer III
2014
Reversing the Formation of Alzheimer Amyloid Fibrils and Blocking Toxic Ca2+ Influx
VM Ingram, BJ Blanchard, A Chen, K Stafford, B Stockwell
Amyloid and Amyloidosis, 411-412, 2004
2004
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Articles 1–18