Life in Multi-Extreme Environments: Brines, Osmotic and Hydrostatic Pressure─ A Physicochemical View
JM Knop, S Mukherjee, MW Jaworek… - Chemical …, 2022 - ACS Publications
Elucidating the details of the formation, stability, interactions, and reactivity of biomolecular
systems under extreme environmental conditions, including high salt concentrations in …
systems under extreme environmental conditions, including high salt concentrations in …
Integrated computational approaches and tools for allosteric drug discovery
O Sheik Amamuddy, W Veldman, C Manyumwa… - International journal of …, 2020 - mdpi.com
Understanding molecular mechanisms underlying the complexity of allosteric regulation in
proteins has attracted considerable attention in drug discovery due to the benefits and …
proteins has attracted considerable attention in drug discovery due to the benefits and …
Deactivation pathway of Ras GTPase underlies conformational substates as targets for drug design
Aberrant activation of Ras GTPase is closely associated with human cancers. Mechanistic
and structural insights into conformational transitions underlying the Ras deactivation …
and structural insights into conformational transitions underlying the Ras deactivation …
The Ras switch in structural and historical perspective
R Gasper, F Wittinghofer - Biological chemistry, 2019 - degruyter.com
Since its discovery as an oncogene more than 40 years ago, Ras has been and still is in the
focus of many academic and pharmaceutical labs around the world. A huge amount of work …
focus of many academic and pharmaceutical labs around the world. A huge amount of work …
Allosteric regulation at the crossroads of new technologies: multiscale modeling, networks, and machine learning
GM Verkhivker, S Agajanian, G Hu… - Frontiers in molecular …, 2020 - frontiersin.org
Allosteric regulation is a common mechanism employed by complex biomolecular systems
for regulation of activity and adaptability in the cellular environment, serving as an effective …
for regulation of activity and adaptability in the cellular environment, serving as an effective …
Insights into the cross talk between effector and allosteric lobes of KRAS from methyl conformational dynamics
FA Chao, S Dharmaiah, T Taylor… - Journal of the …, 2022 - ACS Publications
KRAS is the most frequently mutated RAS protein in cancer patients, and it is estimated that
about 20% of the cancer patients in the United States carried mutant RAS proteins. To …
about 20% of the cancer patients in the United States carried mutant RAS proteins. To …
Advances in NMR methods to map allosteric sites: from models to translation
S Boulton, G Melacini - Chemical Reviews, 2016 - ACS Publications
The last five years have witnessed major developments in the understanding of the allosteric
phenomenon, broadly defined as coupling between remote molecular sites. Such advances …
phenomenon, broadly defined as coupling between remote molecular sites. Such advances …
Reduced dynamic complexity allows structure elucidation of an excited state of KRASG13D
FA Chao, AH Chan, S Dharmaiah… - Communications …, 2023 - nature.com
Localized dynamics of RAS, including regions distal to the nucleotide-binding site, is of high
interest for elucidating the mechanisms by which RAS proteins interact with effectors and …
interest for elucidating the mechanisms by which RAS proteins interact with effectors and …
Conformational fluctuations in GTP-bound K-Ras: A metadynamics perspective with harmonic linear discriminant analysis
X Wang - Journal of Chemical Information and Modeling, 2021 - ACS Publications
Biomacromolecules often undergo significant conformational rearrangements during
function. In proteins, these motions typically consist in nontrivial, concerted rearrangement of …
function. In proteins, these motions typically consist in nontrivial, concerted rearrangement of …
Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography
E Girard, P Lopes, M Spoerner, AC Dhaussy… - Chemical …, 2022 - pubs.rsc.org
In this work, we experimentally investigate the allosteric transitions between conformational
states on the Ras oncogene protein using high pressure crystallography. Ras protein is a …
states on the Ras oncogene protein using high pressure crystallography. Ras protein is a …