Zobrazeno 1 - 10
of 895
pro vyhledávání: '"Shakhnovich Eugene"'
Autor:
Graff, David E., Pyzer-Knapp, Edward O., Jordan, Kirk E., Shakhnovich, Eugene I., Coley, Connor W.
Quantitative structure-property relationships (QSPRs) aid in understanding molecular properties as a function of molecular structure. When the correlation between structure and property weakens, a dataset is described as "rough," but this characteris
Externí odkaz:
http://arxiv.org/abs/2305.08238
Autor:
Loffredo, Emanuele, Vesconi, Elisabetta, Razban, Rostam, Peleg, Orit, Shakhnovich, Eugene, Cocco, Simona, Monasson, Rémi
Publikováno v:
Journal of Physics A: Mathematical and Theoretical, Volume 56, Number 45, Published 13 October 2023 Random Landscapes and Dynamics in Evolution, Ecology and Beyond
Understanding how a stressor applied on a biological system shapes its evolution is key to achieving targeted evolutionary control. Here we present a toy model of two interacting lattice proteins to quantify the response to the selective pressure def
Externí odkaz:
http://arxiv.org/abs/2303.12431
Mapping the space of photoswitchable ligands and photodruggable proteins with computational modeling
Light-activated drugs are a promising way to localize biological activity and minimize side effects. However, their development is complicated by the numerous photophysical and biological properties that must be simultaneously optimized. To accelerat
Externí odkaz:
http://arxiv.org/abs/2302.11490
Molecular photoswitches are the foundation of light-activated drugs. A key photoswitch is azobenzene, which exhibits trans-cis isomerism in response to light. The thermal half-life of the cis isomer is of crucial importance, since it controls the dur
Externí odkaz:
http://arxiv.org/abs/2207.11592
Autor:
Serebryany, Eugene, Zhao, Victor Y., Park, Kibum, Bitran, Amir, Trauger, Sunia A., Budnik, Bogdan, Shakhnovich, Eugene I.
Non-native conformations drive protein misfolding diseases, complicate bioengineering efforts, and fuel molecular evolution. No current experimental technique is well-suited for elucidating them and their phenotypic effects. Especially intractable ar
Externí odkaz:
http://arxiv.org/abs/2204.06159
Light-induced chemical processes are ubiquitous in nature and have widespread technological applications. For example, photoisomerization can allow a drug with a photo-switchable scaffold such as azobenzene to be activated with light. In principle, p
Externí odkaz:
http://arxiv.org/abs/2108.04879
Publikováno v:
In Current Opinion in Systems Biology March 2024 37
Autor:
Serebryany, Eugene, Chowdhury, Sourav, Watson, Nicki E., McClelland, Arthur, Shakhnovich, Eugene I.
Cataract is one of the most prevalent protein aggregation disorders and still the biggest cause of vision loss worldwide. The human lens, in its core region, lacks turnover of any cells or cellular components; it has therefore evolved remarkable mech
Externí odkaz:
http://arxiv.org/abs/2012.09805
Autor:
Bhattacharyyaa, Sanchari, Bershtein, Shimon, Adkara, Bharat V., Woodarda, Jaie, Shakhnovich, Eugene I.
The relationship between sequence variation and phenotype is poorly understood. Here we use metabolomic analysis to elucidate the molecular mechanism underlying the filamentous phenotype of E. coli strains that carry destabilizing mutations in the Di
Externí odkaz:
http://arxiv.org/abs/2012.09658
Structure-based virtual screening is an important tool in early stage drug discovery that scores the interactions between a target protein and candidate ligands. As virtual libraries continue to grow (in excess of $10^8$ molecules), so too do the res
Externí odkaz:
http://arxiv.org/abs/2012.07127