Članki z zahtevami za javni dostop - Ken A. DillVeč o tem
Ni na voljo nikjer: 3
Extracting representative structures from protein conformational ensembles
A Perez, A Roy, K Kasavajhala, A Wagaman, KA Dill, JL MacCallum
Proteins: Structure, Function, and Bioinformatics 82 (10), 2671-2680, 2014
Zahteve: US National Institutes of Health
Computing Free Energies of Fold-Switching Proteins Using MELD x MD
S Parui, E Brini, KA Dill
Journal of Chemical Theory and Computation 19 (19), 6839-6847, 2023
Zahteve: US National Institutes of Health
A Microscopic Theory of Solvation of Monoions.
T Urbič, CJ Fennell, KA Dill
Acta Chimica Slovenica 59 (3), 2012
Zahteve: US National Institutes of Health
Na voljo nekje: 135
The protein-folding problem, 50 years on
KA Dill, JL MacCallum
science 338 (6110), 1042-1046, 2012
Zahteve: US National Institutes of Health
The protein folding problem
KA Dill, SB Ozkan, MS Shell, TR Weikl
Annu. Rev. Biophys. 37 (1), 289-316, 2008
Zahteve: US National Institutes of Health
Binding of small-molecule ligands to proteins:“what you see” is not always “what you get”
DL Mobley, KA Dill
Structure 17 (4), 489-498, 2009
Zahteve: US National Institutes of Health
Principles of maximum entropy and maximum caliber in statistical physics
S Pressé, K Ghosh, J Lee, KA Dill
Reviews of Modern Physics 85 (3), 1115-1141, 2013
Zahteve: US National Institutes of Health
How water’s properties are encoded in its molecular structure and energies
E Brini, CJ Fennell, M Fernandez-Serra, B Hribar-Lee, M Luksic, KA Dill
Chemical reviews 117 (19), 12385-12414, 2017
Zahteve: US Department of Energy, US National Institutes of Health, Javna agencija za …
Small molecule hydration free energies in explicit solvent: an extensive test of fixed-charge atomistic simulations
DL Mobley, CI Bayly, MD Cooper, MR Shirts, KA Dill
Journal of chemical theory and computation 5 (2), 350-358, 2009
Zahteve: US National Institutes of Health
Physical limits of cells and proteomes
KA Dill, K Ghosh, JD Schmit
Proceedings of the National Academy of Sciences 108 (44), 17876-17882, 2011
Zahteve: US National Institutes of Health
Ion pairing in molecular simulations of aqueous alkali halide solutions
CJ Fennell, A Bizjak, V Vlachy, KA Dill
The Journal of Physical Chemistry B 113 (19), 6782-6791, 2009
Zahteve: US National Institutes of Health
Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for electrostatic …
GJ Rocklin, DL Mobley, KA Dill, PH Hünenberger
The Journal of chemical physics 139 (18), 2013
Zahteve: Swiss National Science Foundation, US National Institutes of Health
Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site
SE Boyce, DL Mobley, GJ Rocklin, AP Graves, KA Dill, BK Shoichet
Journal of molecular biology 394 (4), 747-763, 2009
Zahteve: US National Institutes of Health
Biomimetic nanostructures: Creating a high-affinity zinc-binding site in a folded nonbiological polymer
BC Lee, TK Chu, KA Dill, RN Zuckermann
Journal of the American Chemical Society 130 (27), 8847-8855, 2008
Zahteve: US National Institutes of Health
A test on peptide stability of AMBER force fields with implicit solvation
MS Shell, R Ritterson, KA Dill
The Journal of Physical Chemistry B 112 (22), 6878-6886, 2008
Zahteve: US National Institutes of Health
Advances in free-energy-based simulations of protein folding and ligand binding
A Perez, JA Morrone, C Simmerling, KA Dill
Current opinion in structural biology 36, 25-31, 2016
Zahteve: US National Institutes of Health
Proteostasis collapse is a driver of cell aging and death
M Santra, KA Dill, AMR De Graff
Proceedings of the National Academy of Sciences 116 (44), 22173-22178, 2019
Zahteve: US National Science Foundation
Determining protein structures by combining semireliable data with atomistic physical models by Bayesian inference
JL MacCallum, A Perez, KA Dill
Proceedings of the National Academy of Sciences 112 (22), 6985-6990, 2015
Zahteve: US National Institutes of Health
What drives amyloid molecules to assemble into oligomers and fibrils?
JD Schmit, K Ghosh, K Dill
Biophysical journal 100 (2), 450-458, 2011
Zahteve: US National Institutes of Health
Diet modulates brain network stability, a biomarker for brain aging, in young adults
LR Mujica-Parodi, A Amgalan, SF Sultan, B Antal, X Sun, S Skiena, ...
Proceedings of the National Academy of Sciences 117 (11), 6170-6177, 2020
Zahteve: US National Science Foundation, US National Institutes of Health
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