Results 81 to 90 of about 12,411,912 (281)
The PAM pathway and its impact on cellular metabolism. Color‐coded key symbols represent Rapamycin (R, orange, targeting mTOR) and Dactolisib (D, green, targeting PI3K/mTOR), indicating their sites of action. Created with BioRenders.com. Glioblastoma resists therapy through interconnected survival programs.
Kai Zhao +23 more
wiley +1 more source
High quality electron densities as a tool in Kohn-Sham theory [PDF]
In this thesis high quality electron densities are used to provide insight into density functional theory (DFT) and to improve the quality of DFT calculations.
Allen, Mark J., Allen, Mark J
core
Early Clinical, Imaging, and Pathological Characteristics of SRPK3/TTN‐Digenic Myopathy
ABSTRACT Objective SRPK3/TTN‐digenic myopathy was recently established as a skeletal muscle myopathy caused by digenic inheritance. This study characterizes the early clinical presentation of SRPK3/TTN‐digenic myopathy in one previously reported and seven newly identified pediatric patients.
Rotem Orbach +23 more
wiley +1 more source
Exchange-correlation functionals from ab initio potentials [PDF]
An accurate description of the exchange-correlation energy is central to density functional theory (DFT). In this thesis a series of exchange-correlation functionals are developed using new approaches based on exchange-correlation potentials and ...
Menconi, Giuseppina
core
ABSTRACT Objective Facioscapulohumeral muscular dystrophy (FSHD) is one of the most debilitating and common muscular dystrophies. Despite its severity, no approved therapy exists for FSHD patients. However, several therapeutic candidates are currently under development, and some have recently entered clinical trials, marking the need for reliable ...
Mustafa Bilal Bayazit +11 more
wiley +1 more source
BET & ELF Quantum Topological Analysis of Neutral 2-Aza-Cope Rearrangement of γ-Alkenyl Nitrones
The 2-Aza-Cope rearrangement of γ-alkenyl nitrones is a rare example of the neutral thermal 2-aza-Cope process that usually takes place with cationic species.
Pedro Merino +3 more
doaj +1 more source
Entropy‐Driven Design of Low‐Melting‐Point Alloys via Compositionally Complex Strategy
Conventional low‐melting‐point alloys (LMPAs) are limited by a narrow compositional space and inherent property trade‐offs. This review presents an entropy‐driven design strategy that overcomes these limitations, ushering in a new class of low‐melting‐point compositionally complex alloys (LMCCAs).
Yinghui Shang +6 more
wiley +1 more source
Substitution Effects on the Optoelectronic Properties of Coumarin Derivatives
Coumarin derivatives have gathered major attention largely due to their versatile utility in a wide range of applications. In this framework, we report a comparative computational investigation on the optoelectronic properties of 3-phenylcoumarin and 3 ...
Amit Kumar +5 more
doaj +1 more source
Investigating the Low‐Temperature Phase Stability of the Binary Ta–W System
Atomistic simulations show that the binary Ta–W system forms ordered intermetallic phases, B2‐TaW and D03‐TaW3, as 0 K ground states. Configurational entropy, however, lowers the free energy of the disordered bcc solid solution, which becomes the stable phase above about 400 K.
Klemens Lechner +7 more
wiley +1 more source
Stacking interactions in benzene and cytosine dimers: from molecular electron density perspective
The stacking patterns of benzene and cytosine have been compared with the help of Bader’ theory of atoms in molecule using the conventional ab initio method.
Parthasarathi, R., Subramanian, V.
core +1 more source

