Results 231 to 240 of about 645,880 (357)

XCMS-MRM and METLIN-MRM: a cloud library and public resource for targeted analysis of small molecules

Xavier Domingo-Almenara, J Rafael Montenegro-Burke, Julijana Ivanisevic, Aurélien Thomas, Jonathan Sidibé, Tony Teav, Carlos Guijas, Aries Aisporna, Duane Rinehart, Linh Hoang, Anders Nordström, Maria Gomez-Romero, Luke Whiley, Mathew R. Lewis, Jeremy K Nicholson, H. Paul Benton, Gary Siuzdak   +16 more
openalex   +1 more source

BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library [PDF]

, 2015
Sandeepkumar Kothiwale, Jeffrey Mendenhall, Jens Meiler   +2 more
openalex   +1 more source

Spectrally Tunable 2D Material‐Based Infrared Photodetectors for Intelligent Optoelectronics

Advanced Functional Materials, EarlyView.
Intelligent optoelectronics through spectral engineering of 2D material‐based infrared photodetectors. Abstract The evolution of intelligent optoelectronic systems is driven by artificial intelligence (AI). However, their practical realization hinges on the ability to dynamically capture and process optical signals across a broad infrared (IR) spectrum.
Junheon Ha, Yingshan Ma, Yong Nam An, Sung‐Un An, Hyeon Hak Jung, Suvi‐Tuuli Varjamo, Jiwon Yoo, Junho Min, Hanvit Kim, Faisal Ahmed, Sang Hoon Chae, Young Min Song, Weiwei Cai, Tawfique Hasan, Zhipei Sun, Dong‐Ho Kang, Hyeon‐Jin Shin, Yunyun Dai, Hoon Hahn Yoon   +18 more
wiley   +1 more source

Paths to cheminformatics: Q&A with Rajarshi Guha. [PDF]

J Cheminform
Guha R.
europepmc   +1 more source

T5 ExonucleaseImproves the Identification of AptamersSpecific for Small Molecules from the Early Screening Library

Shixin Liu (6531515), Jiaxin Cheng (10890039), Xinyue Zhang (271120), Yanlin Qin (2555221), Yongshu Li (9697612), Huan Liu (281351), Qin Wu (139038), Jianjun Hou (2689039), Xixia Liu (737341)   +8 more
openalex   +1 more source

Integrative Approaches for DNA Sequence‐Controlled Functional Materials

Advanced Functional Materials, EarlyView.
DNA is emerging as a programmable building block for functional materials with applications in biomimicry, biochemical, and mechanical information processing. The integration of simulations, experiments, and machine learning is explored as a means to bridge DNA sequences with macroscopic material properties, highlighting current advances and providing ...
Aaron Gadzekpo, Ewa Anna Oprzeska‐Zingrebe, Mariana Kozlowska, Lennart Hilbert, Iliya D. Stoev   +4 more
wiley   +1 more source

Ultra-large library screening with an evolutionary algorithm in Rosetta (REvoLd). [PDF]

Commun Chem
Eisenhuth P, Liessmann F, Moretti R, Meiler J.   +3 more
europepmc   +1 more source

4D Printing of Self‐Immolative Polymers

Advanced Functional Materials, EarlyView.
The integration of self‐immolative polymers (SIPs) into light‐based 3D printed structures is presented as a new “living” 4D printing strategy. By exploiting their metastability and stimuli‐responsiveness, SIP‐containing printed objects can undergo rapid and triggered degrowth under ambient conditions and subsequent regrowth through polymer ...
Johannes Markhart, Philipp Mainik, Pia S. Klee, Eva Blasco   +3 more
wiley   +1 more source

Structure-enhanced deep learning accelerates aptamer selection for small molecule families like steroids. [PDF]

Brief Bioinform
Zhao Z, Lin H, Lau HY, Chen H, Hsing IM.
europepmc   +1 more source

Using the Photostationary State of Arylazopyrazoles to Control Phase Transitions of Liquid Crystals

Advanced Functional Materials, EarlyView.
A series of new arylazopyrazole photoswitches is designed as dopants for liquid crystalline materials. Unprecedented, the distribution of photoisomers at the photostationary state upon irradiation with light of specific wavelengths (365, 460, 520 nm) is used to control the liquid crystalline phase transitions under isothermal conditions, including ...
Tobias Thiele, Kristina Hrybenko, Christoph Wölper, Michael Giese   +3 more
wiley   +1 more source