Results 51 to 60 of about 4,253,827 (311)

Computational modeling in developmental psychology

open access: yes, 2007
This manuscript surveys computational modeling efforts by researchers in developmental psychology. Developmental psychology is ready to blossom into a modern science that focuses on causal mechanistic explanations of development rather than just ...
Thomas, Michael S.C.   +2 more
core   +1 more source

PET-MAD as a lightweight universal interatomic potential for advanced materials modeling

open access: yesNature Communications
Machine-learning interatomic potentials have greatly extended the reach of atomic-scale simulations, offering the accuracy of first-principles calculations at a fraction of the cost.
Arslan Mazitov   +8 more
doaj   +1 more source

Reconstructing enzyme evolution by protein engineering

open access: yesFEBS Letters, EarlyView.
Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler   +2 more
wiley   +1 more source

Trends and Outlook of Computational Chemistry and Microkinetic Modeling for Catalytic Synthesis of Methanol and DME

open access: yes, 2020
The first-principle modeling of heterogeneous catalysts is a revolutionarily approach, as the electronic structure of a catalyst is closely related to its reactivity on the surface with reactant molecules.
Jongmin Park   +3 more
core   +1 more source

Engineering peptides into antibodies—opportunities and strategies for therapeutic innovation

open access: yesFEBS Letters, EarlyView.
Peptides and antibodies occupy complementary therapeutic niches. Peptides recognize difficult targets in a compact format, while antibodies add specificity, long half‐life, and effector functions. This review examines strategies that merge both modalities—peptide grafting into loops, terminal and Fc fusions, and bioconjugation—highlighting how ...
Jinling Wang   +2 more
wiley   +1 more source

Efficiency Enhancement of Switched Reluctance Generator Employing Optimized Control Associated with Tracking Technique

open access: yesEnergies, 2021
This article presents studies related to the driving and control of the switched reluctance generator in order to enhance its efficiency. This type of electrical machine is an option for wind energy conversion systems, favoring the generation of ...
Wanderson R. H. Araujo   +3 more
doaj   +1 more source

Ligand‐dependent transcriptional heterogeneity in cell cycle gene expression delays G1/S entry

open access: yesFEBS Letters, EarlyView.
EGF and HRG induce distinct G1/S progression programs in ErbB2‐amplified BT474 breast cancer cells. Despite activating the potent ErbB2–ErbB3 heterodimer, HRG does not accelerate cell‐cycle entry. Instead, EGF promotes earlier restriction‐point passage via ERK–FOS signaling, whereas HRG activates the AKT–MYC axis, driving transcriptional heterogeneity ...
Ririn Rahmala Febri   +5 more
wiley   +1 more source

Dealing with diversity in computational cancer modeling [PDF]

open access: yes, 2013
25.02.15 KB. Ok to add published version to spiral, OA paperThis paper discusses the need for interconnecting computational cancer models from different sources and scales within clinically relevant scenarios to increase the accuracy of the models and ...
Wang, Zhihui   +26 more
core   +1 more source

Emerging experimental and computational methods for studying redox‐regulated structural transitions

open access: yesFEBS Letters, EarlyView.
Redox reactions can reshape proteins and alter how they behave in cells, with important consequences for health and disease. This review explores emerging experimental and computational approaches for discovering these redox‐sensitive protein switches, revealing their structural effects, and predicting their behavior, opening new opportunities to ...
Tasneem Rass   +2 more
wiley   +1 more source

Interharmonics: Theory and Modeling

open access: yes, 2007
Some of the most remarkable issues related to interharmonic theory and modeling are presented. Starting from the basic definitions and concepts, attention is first devoted to interharmonic sources.
IEEE TASK FORCE ON HARMONICS MODELING a. S.   +2 more
core   +1 more source

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