Results 91 to 100 of about 1,213,798 (272)

Testing the predictive power of reverse screening to infer drug targets, with the help of machine learning

Communications Chemistry
Estimating protein targets of compounds based on the similarity principle—similar molecules are likely to show comparable bioactivity—is a long-standing strategy in drug research. Having previously quantified this principle, we present here a large-scale
Antoine Daina, Vincent Zoete
doaj   +1 more source

Time after time – circadian clocks through the lens of oscillator theory

FEBS Letters, EarlyView.
Oscillator theory bridges physics and circadian biology. Damped oscillators require external drivers, while limit cycles emerge from delayed feedback and nonlinearities. Coupling enables tissue‐level coherence, and entrainment aligns internal clocks with environmental cues.
Marta del Olmo, Carolin Ector, Hanspeter Herzel   +2 more
wiley   +1 more source

A network property necessary for concentration robustness

Nature Communications, 2016
Absolute concentration robustness (ACR), independence of the steady-state concentration of a molecule from the environment, is difficult to predict.
Jeanne M. O. Eloundou-Mbebi, Anika Küken, Nooshin Omranian, Sabrina Kleessen, Jost Neigenfind, Georg Basler, Zoran Nikoloski   +6 more
doaj   +1 more source

High Spectral and Spatial Resolution Observations of the PDR Emission in the NGC2023 Reflection Nebula with SOFIA and APEX

, 2015
We have mapped the NGC 2023 reflection nebula in [CII] and CO(11--10) with the heterodyne receiver GREAT on SOFIA and obtained slightly smaller maps in 13CO(3--2), CO(3--2), CO(4--3), CO(6--5), and CO(7--6) with APEX in Chile.
Guesten, R., Mookerjea, B., Okada, Y., Requena-Torres, M. A., Riquelme, D., Sandell, G.   +5 more
core   +1 more source

Multiple ETS family transcription factors bind mutant p53 via distinct interaction regions

FEBS Letters, EarlyView.
Mutant p53 gain‐of‐function is thought to be mediated by interaction with other transcription factors. We identify multiple ETS transcription factors that can bind mutant p53 and found that this interaction can be promoted by a PXXPP motif. ETS proteins that strongly bound mutant p53 were upregulated in ovarian cancer compared to ETS proteins that ...
Stephanie A. Metcalf, Nicholas F. Downing, Kaitlyn M. Mills, Samuel C. Metcalfe, Alexander E. Kritzer, Lindsey D. Mayo, Peter C. Hollenhorst   +6 more
wiley   +1 more source

Molecular modeling for physical property prediction [PDF]

, 2006
Multiscale modeling is becoming the standard approach for process study in a broader framework that promotes computer aided integrated product and process design.
Gerbaud, Vincent, Joulia, Xavier
core  

Mechanical properties and thermal conductivity of graphitic carbon nitride: A molecular dynamics study

, 2017
Graphitic carbon nitride nanosheets are among 2D attractive materials due to presenting unusual physicochemical properties.Nevertheless, no adequate information exists about their mechanical and thermal properties.
Cuniberti, G, Mortazavi, B, Rabczuk, T
core   +1 more source

The newfound relationship between extrachromosomal DNAs and excised signal circles

FEBS Letters, EarlyView.
Extrachromosomal DNAs (ecDNAs) contribute to the progression of many human cancers. In addition, circular DNA by‐products of V(D)J recombination, excised signal circles (ESCs), have roles in cancer progression but have largely been overlooked. In this Review, we explore the roles of ecDNAs and ESCs in cancer development, and highlight why these ...
Dylan Casey, Zeqian Gao, Joan Boyes
wiley   +1 more source

Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A_2A Adenosine Receptor: Insights from Supervised Molecular Dynamics (SuMD) Simulations

Molecules, 2019
One of the most intriguing findings highlighted from G protein-coupled receptor (GPCR) crystallography is the presence, in many members of class A, of a partially hydrated sodium ion in the middle of the seven transmembrane helices (7TM) bundle.
Maicol Bissaro, Giovanni Bolcato, Giuseppe Deganutti, Mattia Sturlese, Stefano Moro   +4 more
doaj   +1 more source

Modeling Molecular-Line Emission from Circumstellar Disks

, 1997
Molecular lines hold valuable information on the physical and chemical composition of disks around young stars, the likely progenitors of planetary systems.
ACA Boogert, ACA Boogert, AJ Markwick, C Ceccarelli, CP Dullemond, CP Dullemond, CP Dullemond, CP Dullemond, D Lynden-Bell, E Bergin, EF Dishoeck van, EI Chiang, G-J Zadelhoff van, GB Rybicki, J Muzerolle, JE Kessler, JE Pringle, K Willacy, MJ Richter, MR Hogerheijde, MR Hogerheijde, MR Hogerheijde, NI Shakura, P D’Alessio, Q C, S Guilloteau, SJ Kenyon, SVW Beckwith, WF Thi, Y Aikawa, Y Aikawa, Y Aikawa, Y Aikawa, Y Aikawa, Y Aikawa, Y Aikawa   +35 more
core   +2 more sources