Results 71 to 80 of about 17,712,238 (346)

The emerging role of computational design in peptide macrocycle drug discovery

Expert Opinion on Drug Discovery, 2020
Drug discovery is a laborious process with rising cost per new drug. Peptide macrocycles are promising therapeutics, though conformational flexibility can reduce target affinity and specificity.
V. Mulligan
semanticscholar   +1 more source

Cytoplasmic p21 promotes stemness of colon cancer cells via activation of the NFκB pathway

Molecular Oncology, EarlyView.
Cytoplasmic p21 promotes colorectal cancer stem cell (CSC) features by destabilizing the NFκB–IκB complex, activating NFκB signaling, and upregulating BCL‐xL and COX2. In contrast to nuclear p21, cytoplasmic p21 enhances spheroid formation and stemness transcription factor CD133.
Arnatchai Maiuthed, Kerstin Huebner, Katharina Erlenbach‐Wuensch, Chuanpit Hampel, Daniela Thalheim, Adriana Vial‐Roehe, Bodee Nutho, Susanne Merkel, Arndt Hartmann, Pithi Chanvorachote, Regine Schneider‐Stock   +10 more
wiley   +1 more source

Computer-aided antibody design [PDF]

Protein Engineering Design and Selection, 2012
Recent clinical trials using antibodies with low toxicity and high efficiency have raised expectations for the development of next-generation protein therapeutics. However, the process of obtaining therapeutic antibodies remains time consuming and empirical.
Kuroda, Daisuke, Shirai, Hiroki, Jacobson, Matthew P., Nakamura, Haruki   +3 more
openaire   +2 more sources

Computational design of locally resonant acoustic metamaterials [PDF]

Computer Methods in Applied Mechanics and Engineering, 2019
The so-called Locally Resonant Acoustic Metamaterials (LRAM) are considered for the design of specifically engineered devices capable of stopping waves from propagating in certain frequency regions (bandgaps), this making them applicable for acoustic ...
David Roca Cazorla, D. Yago, J. Cante, O. Lloberas-Valls, J. Oliver   +4 more
semanticscholar   +1 more source

Backpressure-based control protocols: design and computational aspects [PDF]

, 2009
Congestion control in packet-based networks is often realized by feedback protocols. In this paper we assess their performance under a back-pressure mechanism that has been proposed and standardized for Ethernet metropolitan networks. In such a mechanism
Mandjes, M.R.H., Miretskiy, D.I., Scheinhardt, W.R.W.   +2 more
core   +2 more sources

Formal Computational Unlinkability Proofs of RFID Protocols

, 2017
We set up a framework for the formal proofs of RFID protocols in the computational model. We rely on the so-called computationally complete symbolic attacker model. Our contributions are: i) To design (and prove sound) axioms reflecting the properties of
Comon, Hubert, Koutsos, Adrien
core   +1 more source

In vitro models of cancer‐associated fibroblast heterogeneity uncover subtype‐specific effects of CRISPR perturbations

Molecular Oncology, EarlyView.
Development of therapies targeting cancer‐associated fibroblasts (CAFs) necessitates preclinical model systems that faithfully represent CAF–tumor biology. We established an in vitro coculture system of patient‐derived pancreatic CAFs and tumor cell lines and demonstrated its recapitulation of primary CAF–tumor biology with single‐cell transcriptomics ...
Elysia Saputra, Shamsudheen Karuthedath Vellarikkal, Lixia Li, Hong Sun, Khoa Nguyen, Amber Montano, Suchitra Natarajan, Federica Piccioni, Alex Michael Tamburino, Xin Yu, Aleksandra Katarzyna Olow   +10 more
wiley   +1 more source

Effect of Hubbard U-corrections on the electronic and magnetic properties of 2D materials: a high-throughput study

npj Computational Materials
We conduct a systematic investigation of the role of Hubbard U corrections in electronic structure calculations of two-dimensional (2D) materials containing 3d transition metals. Specifically, we use density functional theory (DFT) with the PBE and PBE+U
Sahar Pakdel, Thomas Olsen, Kristian S. Thygesen   +2 more
doaj   +1 more source

Dual targeting of RET and SRC synergizes in RET fusion‐positive cancer cells

Molecular Oncology, EarlyView.
Despite the strong activity of selective RET tyrosine kinase inhibitors (TKIs), resistance of RET fusion‐positive (RET+) lung cancer and thyroid cancer frequently occurs and is mainly driven by RET‐independent bypass mechanisms. Son et al. show that SRC TKIs significantly inhibit PAK and AKT survival signaling and enhance the efficacy of RET TKIs in ...
Juhyeon Son, Lily L. Remsing Rix, Bin Fang, Eric A. Welsh, Nicole V. Bremer, Valentina Foglizzo, Paola Roa, Nickole Sigcha‐Coello, Yi Liao, Eric B. Haura, Alexander Drilon, John M. Koomen, Emiliano Cocco, Uwe Rix   +13 more
wiley   +1 more source

A Computational Design Framework for Efficient, Fabrication Error-Tolerant, Planar THz Diffractive Optical Elements

Scientific Reports, 2019
We demonstrate ultra-thin (1.5-3λ0), fabrication-error tolerant efficient diffractive terahertz (THz) optical elements designed using a computer-aided optimization-based search algorithm.
Sourangsu Banerji, B. Sensale‐Rodriguez   +1 more
semanticscholar   +1 more source