Results 31 to 40 of about 74,015 (266)
Química Nova, 2005 In general, molecular modeling techniques applied in medicinal chemistry have been static and drug based. However the active site geometry and the intrinsic flexibility of both receptor and ligand are fundamental properties for molecular recognition and ...
Hugo Verli, Eliezer J. Barreiro
doaj +1 more source
A comparison between internal protein nanoenvironments of α-helices and β-sheets.
PLoS ONE, 2020 Secondary structure elements are generally found in almost all protein structures revealed so far. In general, there are more β-sheets than α helices found inside the protein structures.
Ivan Mazoni +4 more
doaj +1 more source
Locks Fit into Keys: A Crystal Analysis of Lock Polynomials [PDF]
Annals of Combinatorics, 2020 21 pages, 10 figures, comments welcome!
openaire +3 more sources
Structural insights and therapeutic targets in Acinetobacter baumannii capsule biosynthesis
FEBS Letters, EarlyView.Hypervirulent KL49 A. baumannii's capsular polysaccharide contains the nonulosonic acid 8‐epi‐Leg5,7Ac2, synthesized by epimerization via ElaA, ElaB, and ElaC. Crystal structures of ElaA, ElaB, and ElaC reveal their role in CMP‐Leg5,7Ac2 synthesis and regioselective C8 epimerization.
Woo Cheol Lee +7 more
wiley +1 more source
Molecular Oncology, EarlyView.We have established a humanized orthotopic patient‐derived xenograft (Hu‐oPDX) mouse model of high‐grade serous ovarian cancer (HGSOC) that recapitulates human tumor–immune interactions. Using combined anti‐PD‐L1/anti‐CD73 immunotherapy, we demonstrate the model's improved biological relevance and enhanced translational value for preclinical ...
Luka Tandaric +10 more
wiley +1 more source
Remote SensingAs crucial water conservancy projects, ship locks play a key role in flood control, shipping, water resource allocation, and promoting regional economic development, making them an indispensable part of the modern water transportation system.
Bingsun Chen +9 more
doaj +1 more source
Interpreting the effects of DNA polymerase variants at the structural level
Molecular Oncology, EarlyView.Using MAVISp and molecular dynamics simulations, we analyzed over 60 000 missense variants in POLE and POLD1 from ClinVar, COSMIC, cBioPortal, and saturation mutagenesis. Identified mechanistic indicators, including stability, binding, and long‐range, enable structural interpretation, providing ACMG‐like evidence for possible reclassification of VUS ...
Matteo Arnaudi +7 more
wiley +1 more source
Molecular Oncology, EarlyView.The novel styrylquinazolinone‐based molecule W1B effectively suppresses glioblastoma by inhibiting IGF1R and EGFR. In high‐glucose microenvironments driving tumor resistance, W1B acts synergistically with the EGFR inhibitor dacomitinib. This combination safely blocks compensatory survival signaling in zebrafish xenograft models. Showcasing promising in
Patryk Rurka +9 more
wiley +1 more source
Silences in the boom: coal seam gas, neoliberalizing discourse, and the future of regional Australia
Journal of Political Ecology, 2014 In high-stakes resource use struggles currently playing out across the world, different beliefs about economics and "growth-first" regional development underpin decisions and dynamics that have far-reaching consequences.
Alexandra Mercer +2 more
doaj +1 more source
From tumor‐centric to ecosystem‐based hypotheses in brain tumor research and care
Molecular Oncology, EarlyView.Primary brain tumors, whether in adults or children, present a major challenge because of their dramatic prognosis and the ongoing lack of efficient therapeutic approaches. In recent years, a shift has occurred from tumor‐centric concepts to a more holistic view of these tumors as dynamic ecosystems.
Julie Gavard +8 more
wiley +1 more source