Zobrazeno 1 - 10
of 227
pro vyhledávání: '"Woolf, Thomas B."'
Autor:
Hawkins, Marquis S., Pokutnaya, Darya Y., Duan, Daisy, Coughlin, Janelle W., Martin, Lindsay M., Zhao, Di, Goheer, Attia, Woolf, Thomas B., Holzhauer, Katherine, Lehmann, Harold P., Lent, Michelle R., McTigue, Kathleen M., Bennett, Wendy L.
Publikováno v:
In Sleep Health: Journal of the National Sleep Foundation October 2023 9(5):767-773
Autor:
Lent, Michelle R., Atwood, Molly, Bennett, Wendy L., Woolf, Thomas B., Martin, Lindsay, Zhao, Di, Goheer, Attia A., Song, Shanshan, McTigue, Kathleen M., Lehmann, Harold P., Holzhauer, Katherine, Coughlin, Janelle W.
Publikováno v:
In Eating Behaviors April 2022 45
Autor:
Perilla, Juan R., Woolf, Thomas B.
A molecular understanding of how protein function is related to protein structure will require an ability to understand large conformational changes between multiple states. Unfortunately these states are often separated by high free energy barriers
Externí odkaz:
http://arxiv.org/abs/1108.1360
We implement the replica exchange molecular dynamics algorithm to study the interactions of a model peptide (WALP-16) with an explicitly represented DPPC membrane bilayer. We observe the spontaneous, unbiased insertion of WALP-16 into the DPPC bilaye
Externí odkaz:
http://arxiv.org/abs/q-bio/0411001
The dynamic phase behavior of a classical Heisenberg spin system with a bilinear exchange anisotropy in a planar thin film geometry has been investigated by Monte Carlo simulations using different forms for the stochastic dynamics. In simulations of
Externí odkaz:
http://arxiv.org/abs/cond-mat/0404686
Autor:
Zuckerman, Daniel M., Woolf, Thomas B.
We discuss the ``soft-ratcheting'' algorithm which generates targeted stochastic trajectories in molecular systems with scores corresponding to their probabilities. The procedure, which requires no initial pathway guess, is capable of rapidly determi
Externí odkaz:
http://arxiv.org/abs/physics/0209098
Autor:
Zuckerman, Daniel M., Woolf, Thomas B.
Systematic inaccuracy is inherent in any computational estimate of a non-linear average, such as the free energy difference (Delta-F) between two states or systems, because of the availability of only a finite number of data values, N. In previous wo
Externí odkaz:
http://arxiv.org/abs/physics/0208015
Autor:
Pearson, John G., Woolf, Thomas B.
Three dimensional relative free energy calculations are used to directly calculate the dependence of the preferred sidechain rotamers for valine and leucine on the conformation of the backbone. Specifically, umbrella restrained molecular dynamics cal
Externí odkaz:
http://arxiv.org/abs/cond-mat/0207567
Autor:
Zuckerman, Daniel M., Woolf, Thomas B.
Systematic inaccuracy is inherent in any computational estimate of a non-linear average, due to the availability of only a finite number of data values, N. Free energy differences (DF) between two states or systems are critically important examples o
Externí odkaz:
http://arxiv.org/abs/physics/0201046
Autor:
Zuckerman, Daniel M., Woolf, Thomas B.
From a variety of long simulations of all-atom butane using both stochastic and fully-solved molecular dynamics, we have uncovered striking generic behavior which also occurs in one-dimensional systems. We find an apparently universal distribution of
Externí odkaz:
http://arxiv.org/abs/physics/0107067