Results 101 to 110 of about 6,717,903 (305)
Recent density functional theory model calculations of drug metabolism by cytochrome P450
, 2012 Cytochrome P450 (P450) enzymes are the major catalysts involved in the oxidative metabolism of most drugs, steroids, carcinogens, and other chemicals. They catalyze a variety of reactions and convert chemicals to potentially reactive products as well as ...
Li, Dongmei +3 more
core +1 more source
A context‐dependent modulatory role for eIF6 in acquired resistance to vemurafenib in melanoma
FEBS Letters, EarlyView.Acquired resistance to vemurafenib upregulates the translation factor eIF6 in melanoma cells. Silencing eIF6 in resistant cells reduces proliferation and partially restores drug sensitivity, whereas its overexpression increases sensitivity across melanoma lines regardless of BRAF status, via modulation of mTOR, S6K, and MAPK signaling.
George Kyriakopoulos +9 more
wiley +1 more source
High-pressure structural and electronic properties of ScB2:Density functional calculations
四川大学学报. 自然科学版, 2016 The structural and electronic properties of ScB2 with AlB2 structural under pressure ranging from 0 to 100 GPa are studied in the framework by using density function theory within the generalized gradient approximation (GGA). The results at zero pressure
ZHANG Yan-Wen, ZHANG Ji-Dong, YANG Kun
doaj
Metastatic niche shaped by host factors influences disseminated cancer cell fate
FEBS Letters, EarlyView.Metastasis is shaped not only by cancer cells but also by the environments they encounter. This review explores how factors such as aging, diet, the microbiome, lifestyle, and environmental exposures remodel organ‐specific niches in the lung, liver, bone, and brain, influencing where metastatic cells survive, remain dormant, or grow, and ultimately ...
Gwennan Delyth Ward +2 more
wiley +1 more source
Density functional theory calculations for mercury fulminate
, 2004 The structural and electronic properties of isolated neutral mercury fulminate molecule (C2N2O2Hg) have been investigated by performing density functional theory calculations at B3LYP level.
Erkoç, Şakir, Erkoc, S, Turker, L
core +1 more source
FEBS Letters, EarlyView.Transient oligomers formed by intrinsically disordered proteins may be ‘invisible’ to direct detection yet remain accessible to solution NMR through equilibrium‐exchange measurements and pressure‐jump experiments. Complementary methods report on mass, stoichiometry, selected distance distributions, morphology, and internal packing.
Martin D. Gelenter, Ad Bax
wiley +1 more source
ChemistryOpenThis work is devoted to quantum chemical and experimental studies of the Dimroth rearrangement mechanism of 1‐(5‐imino‐4,5‐dihydro‐1H‐1,2,3‐triazol‐1‐yl)anthracene‐9,10‐dione.
Dmytro Melnyk +3 more
doaj +1 more source
AIP Advances, 2018 In this paper, we present the results of systematic test calculations for the electronic structure of thermoelectric material ZnSb using a first-principles full-potential all electron computational method. We used a linear combination of atomic orbitals (
Guang-Lin Zhao, Feng Gao, Diola Bagayoko
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, 2007 The interaction of bare graphene nanoribbons (GNRs) was investigated by ab initio density functional theory calculations with both the local density approximation (LDA) and the generalized gradient approximation (GGA).
Smith, S.C., Du, A.J., Lu, G.Q.
core +1 more source
Using density functional theory to describe slowly varying fluctuations at finite temperatures : local magnetic moments in Gd and the ‘not so local’ moments of Ni [PDF]
, 2014 We briefly describe the density functional theory (DFT)-based 'disordered local moment' (DLM) picture for magnetism at finite temperatures. It shows how relatively slowly fluctuating local moments can emerge from the interacting electrons of many ...
Ernst, A. (Arthur) +2 more
core +1 more source