Results 51 to 60 of about 2,903,061 (286)
Molecular Oncology, EarlyView.The novel styrylquinazolinone‐based molecule W1B effectively suppresses glioblastoma by inhibiting IGF1R and EGFR. In high‐glucose microenvironments driving tumor resistance, W1B acts synergistically with the EGFR inhibitor dacomitinib. This combination safely blocks compensatory survival signaling in zebrafish xenograft models. Showcasing promising in
Patryk Rurka +9 more
wiley +1 more source
Molecular dynamic simulation study on interaction mechanism between biopolymer and kaolinite [PDF]
E3S Web of ConferencesThe mining industry produces enormous amounts of waste annually. These wastes – mine tailings – predominantly consist of clay size particles with the major clay mineral being kaolinite.
Chandregowda Shreyas Aralumallige +2 more
doaj +1 more source
Abstract Efficient solid fuel combustion models use semi-global mechanisms with effective parameters, traditionally derived from a small set of reference fuels and conditions. This limits their transferability. Atomistic simulations can compute thermodynamic properties such as reaction enthalpies and adsorption energies.
Bastian Schnieder +4 more
openaire +1 more source
Molecular Oncology, EarlyView.Drug resistance limits treatment success in a subset of lung cancers driven by ROS1 gene alterations. Using patient‐derived cells and computer simulations, we studied three key mutations and how they affect five targeted drugs. The mutations reduced drug effectiveness in different ways by altering protein structure and behavior.
Farhan Ul Haq +8 more
wiley +1 more source
The Evolution of Solid Oxide Fuel Cell Materials
Applied Sciences, 2023 Solid oxide fuel cells (SOFCs) are a key component of the future energy landscape. Although there is considerable research on the physical properties and technology of classic oxide materials for electrode and electrolytes in SOFCs, the field is very ...
Alexander Chroneos +3 more
doaj +1 more source
Multi-scale simulation of the nano-metric cutting process [PDF]
, 2010 Molecular dynamics (MD) simulation and the finite element (FE) method are two popular numerical techniques for the simulation of machining processes. The two methods have their own strengths and limitations.
Cheng, K, Sun, X
core +1 more source
The VHL tumor suppressor at the crossroad of protein folding, aggregation, and cancer
Molecular Oncology, EarlyView.Mutations, environmental stress, and chaperone dysfunction can destabilize pVHL, promoting its conversion from the native folded state into amyloid‐like assemblies. This transition may contribute to protein storage, cell dormancy, survival, and drug resistance.
Lara Abad +2 more
wiley +1 more source
Simulation of the maturation process cystein-silver solution [PDF]
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2018 In this paper, the process of maturation of an aqueous solution of L-cysteine and silver nitrate using the method of atomistic molecular dynamics is investigated. To study the maturation process, an atomistic model of the solution was developed.
P.O. Baburkin +3 more
doaj +1 more source
Metals, 2022 Our current understanding of heterogeneous nucleation has been largely confined to the classical nucleation theory (CNT) that was postulated over 100 years ago based on a thermodynamic approach.
Hua Men, Zhongyun Fan
doaj +1 more source
Theory-based benchmarking of the blended force-based quasicontinuum method [PDF]
, 2014 We formulate an atomistic-to-continuum coupling method based on blending atomistic and continuum forces. Our precise choice of blending mechanism is informed by theoretical predictions. We present a range of numerical experiments studying the accuracy of
Luskin, Mitchell Barry +3 more
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