Results 221 to 230 of about 769,896 (315)

Workflow for Design of Experiments‐Based Modeling of Species Transport and Growth Kinetics in GaN Hydride Vapor Phase Epitaxy

Advanced Engineering Materials, EarlyView.
A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
J. Tomkovič, G. Lukin, H. Torkashvand, A. Kerschbaum, M. Müller, S. Besendörfer, J. Heitmann, J. Friedrich   +7 more
wiley   +1 more source

Computational Design and Glycoengineering of Interferon-Lambda for Nasal Prophylaxis Against Respiratory Viruses. [PDF]

Adv Sci (Weinh)
Yun J, Yang S, Kwon JH, Vecchietti LF, Choi JH, Choi MR, Ku KB, Ro HJ, Kim KD, Cha M, Chung HJ, Oh JE, Kim HM.   +12 more
europepmc   +1 more source

Ontology‐Aligned Structuring and Reuse of Multimodal Materials Data and Workflows Toward Automatic Reproduction

Advanced Engineering Materials, EarlyView.
Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari, Abril Azocar Guzman, Sarath Menon, Stefan Sandfeld, Tilmann Hickel, Markus Stricker   +5 more
wiley   +1 more source

Redefining Therapies for Drug-Resistant Tuberculosis: Synergistic Effects of Antimicrobial Peptides, Nanotechnology, and Computational Design. [PDF]

Adv Healthc Mater
Carnero Canales CS, Marquez Cazorla JI, Marquez Cazorla RM, Santos AMD, Lobato Duarte J, Oliveira Catarin Nunes L, Reis TC, Cerazi Salvador L, Santos-Filho NA, Sábio RM, Santos HA, Pavan FR.   +11 more
europepmc   +1 more source

Soft Mechanical‐Electrical Logic Using Liquid Metal‐Filled 3D‐Printed Architectures

Advanced Engineering Materials, EarlyView.
We present 3D‐printed soft mechanical–electrical logic elements that use liquid metal–filled silicone tubes actuated by thermoplastic polyurethane/polylactic acid (TPU/PLA) architectures to produce Boolean operations. Complementary normally open and normally closed unit cells perform repeatable binary transitions and can be combined into more complex ...
Christoph Lehmann, Ryan Kalgreen, Laura M. Comella   +2 more
wiley   +1 more source

Computational design of sequence-specific DNA-binding proteins. [PDF]

Nat Struct Mol Biol
Glasscock CJ, Pecoraro RJ, McHugh R, Doyle LA, Chen W, Boivin O, Lonnquist B, Na E, Politanska Y, Haddox HK, Cox D, Norn C, Coventry B, Goreshnik I, Vafeados D, Lee GR, Gordân R, Stoddard BL, DiMaio F, Baker D.   +19 more
europepmc   +1 more source

Molecular Dynamics Studies of Shape Memory Polymers: From Bead–Spring Models to Atomistic Simulations

Advanced Engineering Materials, EarlyView.
Coarse‐grained (left) and atomistic (right) models of the shape memory polymer ESTANE ETE 75DT3 are shown schematically. The two representations bridge molecular detail and mesoscopic description. Both models capture shape memory behavior, linking segmental mobility and conformational relaxation of anisotropic chains to macroscopic recovery, and ...
Fathollah Varnik
wiley   +1 more source

Targeted computational design of an interleukin-7 superkine with enhanced folding efficiency and immunotherapeutic efficacy. [PDF]

Elife
Lim SK, Lin WC, Pan YC, Huang SW, Yu YA, Chang CH, Hu CJ, Mou CY, Mou KY.   +8 more
europepmc   +1 more source

Experimental Characterization and Constitutive Modeling of the Effect of Prior Inelastic Strain on the Viscoplastic Behavior of AD730 at 700 °C

Advanced Engineering Materials, EarlyView.
This study shows that superalloys used in aircraft engine disks become much more prone to deformation at high temperatures if they have been strained during manufacturing. This effect increases with the level of prior strain but eventually reaches a limit.
Fabio Machado Alves da Fonseca, Patrick Villechaise, Malik Durand, Arnaud Longuet, Florent Coudon, Loïc Signor, Julien De Jaeger, Dominique Eyidi, Nathalie Bozzolo, Jonathan Cormier   +9 more
wiley   +1 more source

Computational design of serine hydrolases. [PDF]

Science
Lauko A, Pellock SJ, Sumida KH, Anishchenko I, Juergens D, Ahern W, Jeung J, Shida AF, Hunt A, Kalvet I, Norn C, Humphreys IR, Jamieson C, Krishna R, Kipnis Y, Kang A, Brackenbrough E, Bera AK, Sankaran B, Houk KN, Baker D.   +20 more
europepmc   +1 more source