Zobrazeno 1 - 10
of 168
pro vyhledávání: '"Alex Dickson"'
Autor:
Tom Dixon, Derek MacPherson, Barmak Mostofian, Taras Dauzhenka, Samuel Lotz, Dwight McGee, Sharon Shechter, Utsab R. Shrestha, Rafal Wiewiora, Zachary A. McDargh, Fen Pei, Rajat Pal, João V. Ribeiro, Tanner Wilkerson, Vipin Sachdeva, Ning Gao, Shourya Jain, Samuel Sparks, Yunxing Li, Alexander Vinitsky, Xin Zhang, Asghar M. Razavi, István Kolossváry, Jason Imbriglio, Artem Evdokimov, Louise Bergeron, Wenchang Zhou, Jagat Adhikari, Benjamin Ruprecht, Alex Dickson, Huafeng Xu, Woody Sherman, Jesus A. Izaguirre
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-24 (2022)
The formation of ternary degrader-protein complexes is a key step in the targeted degradation of proteins of interest. Here, the authors explore the structure and dynamics of such complexes applying high-performance computer simulations augmented wit
Externí odkaz:
https://doaj.org/article/c2e5bdee6705479cb8aa835a2985b507
Autor:
Nicole M. Roussey, Alex Dickson
Publikováno v:
Frontiers in Molecular Biosciences, Vol 9 (2022)
Improper reaction coordinates can pose significant problems for path-based binding free energy calculations. Particularly, omission of long timescale motions can lead to over-estimation of the energetic barriers between the bound and unbound states.
Externí odkaz:
https://doaj.org/article/4481a80e6543426891530637a882e78c
Autor:
Samuel D. Lotz, Alex Dickson
Publikováno v:
ACS Omega, Vol 5, Iss 49, Pp 31608-31623 (2020)
Externí odkaz:
https://doaj.org/article/ab48f98d0c23492287862cf174e932b6
Publikováno v:
Games, Vol 13, Iss 6, p 83 (2022)
We investigate observed rent dissipation—the ratio of the total costs of rent seeking to the monetary value of the rent—in winner-take-all and share contests, where preferences are more general than usually assumed in the literature. With concave
Externí odkaz:
https://doaj.org/article/f6072ba191694d9c8f5a337d7a00aee1
Publikováno v:
Frontiers in Molecular Biosciences, Vol 7 (2020)
The free energy of a process is the fundamental quantity that determines its spontaneity or propensity at a given temperature. In particular, the binding free energy of a drug candidate to its biomolecular target is used as an objective quantity in d
Externí odkaz:
https://doaj.org/article/a0097719619747808b7b6341dab3fe9b
Autor:
Rebecca J. Wood, Angelique R. Ormsby, Mona Radwan, Dezerae Cox, Abhishek Sharma, Tobias Vöpel, Simon Ebbinghaus, Mikael Oliveberg, Gavin E. Reid, Alex Dickson, Danny M. Hatters
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-10 (2018)
A pool of quality control proteins (QC) maintains the protein-folding homeostasis in the cell, but its quantitative analysis is challenging. Here the authors develop a FRET sensor based on the protein barnase, able to quantify QC holdase activity and
Externí odkaz:
https://doaj.org/article/6391112b918e4b36a3854c8ea904fe80
Autor:
Alex Dickson
Publikováno v:
Games, Vol 4, Iss 3, Pp 283-303 (2013)
The purpose of this paper is to study the effects of entry into the market for a single commodity in which both sellers and buyers are permitted to interact strategically. With the inclusion of an additional seller, the market is quasi-competitive: t
Externí odkaz:
https://doaj.org/article/7333895f8b2349e3be54e5b9c1a3df69
Autor:
Alex Dickson, Charles L Brooks
Publikováno v:
PLoS Computational Biology, Vol 9, Iss 11, p e1003324 (2013)
For cells to function, the concentrations of all proteins in the cell must be maintained at the proper levels (proteostasis). This task--complicated by cellular stresses, protein misfolding, aggregation, and degradation--is performed by a collection
Externí odkaz:
https://doaj.org/article/83f475353233455980cd378d028bcfa7
Autor:
Claire Soave, Charles Ducker, Naeyma Islam, Seongho Kim, Sally Yurgelevic, Nathan I. Nicely, Luke Pardy, Yanfang Huang, Peter E. Shaw, Gregory Auner, Alex Dickson, Manohar Ratnam
Publikováno v:
Molecular Pharmacology. 103:211-220
Autor:
Nicole M. Roussey, Alex Dickson
Publikováno v:
Journal of Computational Chemistry. 44:935-947
The prediction of (un)binding rates and free energies is of great significance to the drug design process. Although many enhanced sampling algorithms and approaches have been developed, there is not yet a reliable workflow to predict these quantities