Results 41 to 50 of about 1,165,644 (258)

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

Energy exchange between nonlinear oscillators: An entropy foundation [PDF]

, 2016
In the field of vibrations of complex structures, energy methods like SEA and a series of mid-frequency methods, represent an important resource for computational analysis.
Ingrid Kockum (88253), Lisette Graae (180525), Magnus Lekman (3466490), Ola HĂśssjer (3466520), Robert Karlsson (180530)   +4 more
core   +5 more sources

A methionine‐lined active site governs carbocation stabilization and product specificity in a bacterial terpene synthase

FEBS Letters, EarlyView.
This study reveals a unique active site enriched in methionine residues and demonstrates that these residues play a critical role by stabilizing carbocation intermediates through novel sulfur–cation interactions. Structure‐guided mutagenesis further revealed variants with significantly altered product profiles, enhancing pseudopterosin formation. These
Marion Ringel, Carl P. O. Helmer, Shani Zev, Ronja Driller, Emily Buhr, Markus Reinbold, Renana Schwartz, Gabriel Foley, Mikael Boden, Daniel Garbe, Gerhard Schenk, Dan Thomas Major, Bernhard Loll, Thomas Brück   +13 more
wiley   +1 more source

LCS Tool : A Computational Platform for Lagrangian Coherent Structures [PDF]

, 2014
We give an algorithmic introduction to Lagrangian coherent structures (LCSs) using a newly developed computational engine, LCS Tool. LCSs are most repelling, attracting and shearing material lines that form the centerpieces of observed tracer patterns in
Haller, G., Huhn, F., Onu, K.
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

Quantum-Field-Theoretic Simulation Platform for Observing the Fate of the False Vacuum

PRX Quantum, 2021
We design and implement a quantum annealing simulation platform to observe and study dynamical processes in quantum field theory (QFT). Our approach encodes the field theory as an Ising model, which is then solved by a quantum annealer.
Steven Abel, Michael Spannowsky
doaj   +1 more source

A numerical theory of lattice gas and lattice Boltzmann methods in the computation of solutions to nonlinear advective-diffusive systems [PDF]

, 1990
A numerical theory for the massively parallel lattice gas and lattice Boltzmann methods for computing solutions to nonlinear advective-diffusive systems is introduced. The convergence theory is based on consistency and stability arguments that are supported by the discrete Chapman-Enskog expansion (for consistency) and conditions of monotonicity (in ...
openaire   +1 more source

Recent progress in first-principles studies of magnetoelectric multiferroics

, 2005
Materials that combine magnetic and ferroelectric properties have generated increasing interest over the last few years, due to both their diverse properties and their potential utility in new types of magnetoelectric device applications.
Anderson, Anisimov, Anisimov, Baettig, Baettig, Bai, Bokov, Bungaro, Choi, Claude Ederer, Cohen, Cohen, dos Santos, dos Santos, Ederer, Ederer, Ederer, Eerenstein, Fennie, Fennie, Fiebig, Fiebig, Filippetti, Filippetti, Filippetti, Fischer, Ghosez, Goodenough, Haeni, Hemberger, Hill, Hill, Hill, Hill, Hill, Hur, Jones, Kimura, Kimura, King-Smith, Kiselev, Li, Lottermoser, Martin, Medvedeva, Moriya, Neaton, Neaton, Nicola A. Spaldin, Niitaka, Palkar, Perdew, Qi, Qian, Resta, Schmid, Schmid, Schmid, Seshadri, Shishidou, Skinner, Smolenskii, Solovyev, Sosnowska, Spaldin, Sugawara, Teague, Terakura, Ueda, Ueda, van Aken, van Aken, Vanderbilt, Wang, Wang, Xu, Yakel, Yun, Zheng   +78 more
core   +1 more source

Transcriptional network analysis of PTEN‐protein‐deficient prostate tumors reveals robust stromal reprogramming and signs of senescent paracrine communication

Molecular Oncology, EarlyView.
Combining PTEN protein assessment and transcriptomic profiling of prostate tumors, we uncovered a network enriched in senescence and extracellular matrix (ECM) programs associated with PTEN loss and conserved in a mouse model. We show that PTEN‐deficient cells trigger paracrine remodeling of the surrounding stroma and this information could help ...
Ivana Rondon‐Lorefice, Jose I. Lopez, Aitziber Ugalde‐Olano, Maite Zufiaurre, Ianire Astobiza, Natalia Martin‐Martin, Laura Bozal‐Basterra, Saioa Garcia‐Longarte, Amaia Zabala‐Letona, Sofia Rey, Aida Santos‐Martin, Miguel Unda, Ana Loizaga‐Iriarte, Mariona Graupera, Paolo Nuciforo, Arkaitz Carracedo, Isabel Mendizabal   +16 more
wiley   +1 more source

LDAcoop: Integrating non‐linear population dynamics into the analysis of clonogenic growth in vitro

Molecular Oncology, EarlyView.
Limiting dilution assays (LDAs) quantify clonogenic growth by seeding serial dilutions of cells and scoring wells for colony formation. The fraction of negative wells is plotted against cells seeded and analyzed using the non‐linear modeling of LDAcoop.
Nikko Brix, Daniel Samaga, Katharina Gehr, Benedek Dankó, Mohamed Schumann, Guido Drexler, Ahmed Alnatsha, Georg Beyer, Ujjwal Mahajan, Martin Selmansberger, Julia Mayerle, Claus Belka, Horst Zitzelsberger, Kirsten Lauber   +13 more
wiley   +1 more source