Results 191 to 200 of about 4,217,992 (292)

Performance and robustness of small molecule retention time prediction with molecular graph neural networks in industrial drug discovery campaigns. [PDF]

Sci Rep
Vik D, Pii D, Mudaliar C, Nørregaard-Madsen M, Kontijevskis A.   +4 more
europepmc   +1 more source

Molecular graph convolutions: moving beyond fingerprints. [PDF]

J Comput Aided Mol Des, 2016
Kearnes S, McCloskey K, Berndl M, Pande V, Riley P.   +4 more
europepmc   +1 more source

Delivery of DNA‐encoded vaccines and proteins in mice using cutaneous suction‐mediated transfection

FEBS Open Bio, EarlyView.
Cutaneous suction‐mediated transfection in mice for delivery of DNA‐encoded vaccines and proteins. A critical limitation of DNA vaccines and other therapeutics is transfection in vivo to produce the encoded antigens or therapeutic proteins. Cutaneous suction‐based methods have demonstrated effectiveness in many animal models and have been successfully ...
Emran O. Lallow, Isabel Brandtjen, Yaxin Mo, Melissa Gulley, Louis Osorio, Sagar Kudchodkar, Nandita C. Jhumur, Christine C. Roberts, Lisa K. Denzin, David I. Shreiber, Biju Parekkadan, Hao Lin, Joel N. Maslow   +12 more
wiley   +1 more source

In silico and in vitro exploration of a tyrosinase for biocatalytic production of catechols

FEBS Open Bio, EarlyView.
Tyrosinase from Ralstonia pseudosolanacearum is a promising biocatalyst for producing valuable catechols from monophenol substrates. This tyrosinase is uniquely suited to this due to its high monophenolase : diphenolase ratio. We combined in silico docking and in vivo kinetic characterisation of this tyrosinase with 11 industrially relevant monophenols,
James Britton, Fang Zhao, Reeta Davis, Meg Walsh, Kevin E O'Connor, David O'Connell, Tanja Narancic   +6 more
wiley   +1 more source

Purification and preparation of Marchantia polymorpha Auxin Response Factor 2 for phase separation studies

FEBS Open Bio, EarlyView.
We describe detailed protocols for the purification and preparation of Marchantia polymorpha Auxin Response Factor 2 (MpARF2). This protein is fused to an MBP solubility tag and an mNG fluorescent tag and is purified from Escherichia coli. The presented procedures make it possible to study MpARF2 assemblies, which could arise from phase separation ...
Bas Janssen, Robin Romein, Willy A. M. van den Berg, Simon Lindhoud, Jan Willem Borst, Carlo P. M. van Mierlo   +5 more
wiley   +1 more source

Protocol for quantifying miRNA trafficking across the endosomal membrane

FEBS Open Bio, EarlyView.
An in vitro protocol measures miRNA uptake into endosomes isolated from mammalian cell extracts, which are free of subcellular contaminants. Performed at 37 °C in the presence of ATP, it ensures the import of single‐stranded miRNA into the endosomal lumen.
Syamantak Ghosh, Kamalika Mukherjee, Suvendra N. Bhattacharyya   +2 more
wiley   +1 more source

MOAT: Graph Prompting for 3D Molecular Graphs

Proceedings of the 33rd ACM International Conference on Information and Knowledge Management
Qingqing Long, Yuchen Yan, Wentao Cui, Wei Ju 0001, Zhihong Zhu, Yuanchun Zhou, Xuezhi Wang 0004, Meng Xiao 0001   +7 more
openaire   +1 more source

Heterotropic regulation and negative homotropic cooperativity

FEBS Open Bio, EarlyView.
We identified a structural module common to some proteins that couple negative cooperativity with heterotropic regulation, two features that rarely coexist. These proteins are ring‐like and present an ordered asymmetry whereby noncontacting subunits are symmetric, and their tertiary structure differs from that of contacting subunits.
Veronica Morea, Francesco Angelucci, Federica Arnesano, Gianmarco Pascarella, Patrizio Di Micco, Andrea Bellelli   +5 more
wiley   +1 more source

GelMA‐based 3D spheroids recapitulate transcriptomic and functional hallmarks of myeloid sarcoma

FEBS Open Bio, EarlyView.
GelMA 5% hydrogels support the formation of myeloid leukemia spheroids that recapitulate MS‐specific features, including G1 arrest, apoptosis, and ECM‐driven transcriptomic reprogramming. The 3D model mimicked soft‐tissue‐like stiffness and oxygen conditions, and transcriptomic convergence with primary MS samples confirmed its utility as a preclinical ...
Nicolas Germain, Elise Buret, Le Hoang Thanh Nguyen, Marion Cocheteux, Nicolas Touya, Mélanie Dhayer, Romain Dubois, Frank Lafont, Sebastien Janel, Patrice Maboudou, Steve Lancel, Philippe Marchetti   +11 more
wiley   +1 more source

Comparative assessment of crystallographic and cryo‐EM models in the Protein Data Bank

FEBS Open Bio, EarlyView.
Raw data obtained by X‐ray crystallography or cryo‐EM result in experimental maps, ultimately fitted by atomic models. Although the physical principles are different, the final results can be viewed, compared, and evaluated in the same way. With cryogenic electron microscopy (cryo‐EM) on track to surpass X‐ray crystallography as the preferred method ...
Alexander Wlodawer, Pawel Rubach, Zbigniew Dauter, Wojciech Dec, Dariusz Brzezinski, Marta Kulik, Wladek Minor, Mariusz Jaskolski   +7 more
wiley   +1 more source