V-Dock: Fast Generation of Novel Drug-like Molecules Using Machine-Learning-Based Docking Score and Molecular Optimization. [PDF]
Int J Mol Sci, 2021 Choi J, Lee J.
europepmc +1 more source
M-elite coevolutionary kinetic-molecular theory optimization algorithm
Tongxin xuebao, 2015 M-elite coevolutionary kinetic-molecular theory optimization algorithm (MECKMTOA) was proposed.MECKMTOA uses M elites to avoid misleading,improves the convergence precision by learning and collaboration among the elites,employs a new wave operator to ...
Chao-dong FAN, Jing ZHANG, Ling-zhi YI
doaj +2 more sources
Single‐molecule DNA flow‐stretch assays for high‐throughput DNA–protein interaction studies
FEBS Open Bio, EarlyView.We describe an optimised single‐molecule DNA flow‐stretch assay that visualises DNA–protein interactions in real time. Linear DNA fragments are tethered to a surface and stretched by buffer flow for fluorescence imaging. Using λ and φX174 DNA, this protocol enhances reproducibility and accessibility, providing a versatile approach for studying diverse ...
Ayush Kumar Ganguli +8 more
wiley +1 more source
Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization. [PDF]
J Cheminform, 2021 Leguy J +3 more
europepmc +1 more source
Optimizing photoactivation of PA‐mCherry for optical pooled CRISPR screens
FEBS Open Bio, EarlyView.Photoactivatable PA‐mCherry finds widespread use to optically tag individual cells. However, confocal 405 nm UV laser‐scanning (normal scan) is much less efficient than widefield UV illumination, limiting the use of PA‐mCherry on confocal instruments. We remedy this limitation by reporting that rapid and repeated confocal scanning with a low‐intensity,
Sravasti Mukherjee +3 more
wiley +1 more source
Vector Optimization problems, via improvement sets
, 2011 Motivated by applications to the real world, various optimality criteria (also approximate ones) are developed for situations in vector optimization.
Mignanego, Fausto
core +1 more source
Molecular optimization, docking, and dynamic simulation profiling of selective aromatic phytochemical ligands in blocking the SARS-CoV-2 S protein attachment to ACE2 receptor: an in silico approach of targeted drug designing. [PDF]
J Adv Vet Anim Res, 2021 Dey D +6 more
europepmc +1 more source
RoundMi: A quantitative method to analyze mitochondrial morphology in mitotic cells
FEBS Open Bio, EarlyView.RoundMi is a workflow for rapid analysis of mitochondrial morphology in mitotic cells. By combining adaptive preprocessing with automated segmentation and quantification, it enables accurate measurements from single focal plane images, reducing acquisition time and computational demands while remaining compatible with high‐throughput fixed and live ...
Elmira Parvindokht Bararpour +2 more
wiley +1 more source
Versatile vector tools for efficient protein screening across multiple expression systems
FEBS Open Bio, EarlyView.A unified vector toolkit enables rapid protein expression screening across E. coli, insect, and mammalian cells. A single primer pair amplifies the target gene, which is inserted into any vector via a standardized interface. This streamlined workflow eliminates repeated cloning steps, accelerating the identification of optimal expression conditions for
Zhimin Zhu +5 more
wiley +1 more source
Aquaporin‐3 and aquaporin‐5 impact the development of pancreatic ductal adenocarcinoma spheroids
FEBS Open Bio, EarlyView.Schematic representation of the role of aquaporin‐3 (AQP3) and aquaporin‐5 (AQP5) in pancreatic ductal adenocarcinoma (PDAC). Both proteins are upregulated in PDAC and are associated with tumor progression and metastatic potential. Silencing AQP3 or AQP5 in PDAC spheroids results in decreased diameter, area, and overall growth, underscoring their key ...
Catarina Pimpão +3 more
wiley +1 more source