Prediction of 5-hydroxytryptamine Transporter Inhibitor based on Machine Learning [PDF]
arXiv, 2019 In patients with depression, the use of 5-HT reuptake inhibitors can improve the condition. Topological fingerprints, ECFP4, and molecular descriptors were used. Some SERT and small molecules combined prediction models were established by using 5 machine learning methods. We selected the higher accuracy models(RF, SVM, LR) in five-fold cross-validation
arxiv
Free-Energy Landscape and Rate Estimation of the Aromatic Ring Flips in Basic Pancreatic Trypsin Inhibitors Using Metadynamics. [PDF]
J Chem Theory Comput, 2023 Kulkarni M, Söderhjelm P.
europepmc +1 more source
The Role of Proaccelerin in Human Blood Coagulation. Evidence that Proaccelerin Is Converted to a Prothrombin-converting Principle by Activated Stuart Factor: With Notes on the Anticoagulant Action of Soybean Trypsin Inhibitor, Protamine Sulfate, and Hexadimethrine Bromide* [PDF]
, 1965 Robert T. Breckenridge, Oscar D. Ratnoff
openalex +1 more source
Protein Conformation Generation via Force-Guided SE(3) Diffusion Models [PDF]
arXivThe conformational landscape of proteins is crucial to understanding their functionality in complex biological processes. Traditional physics-based computational methods, such as molecular dynamics (MD) simulations, suffer from rare event sampling and long equilibration time problems, hindering their applications in general protein systems.
arxiv
Digestibility of wheat alpha-amylase/trypsin inhibitors using a caricain digestive supplement. [PDF]
Front Nutr, 2022 Juhász A +3 more
europepmc +1 more source
Freeze the BCI until the user is ready: a pilot study of a BCI inhibitor [PDF]
arXiv, 2011 In this paper we introduce the concept of Brain-Computer Interface (BCI) inhibitor, which is meant to standby the BCI until the user is ready, in order to improve the overall performance and usability of the system. BCI inhibitor can be defined as a system that monitors user's state and inhibits BCI interaction until specific requirements (e.g.
arxiv
Small molecule peptidomimetic trypsin inhibitors: validation of an EKO binding mode, but with a twist. [PDF]
Org Biomol Chem, 2022 Lyu RL +4 more
europepmc +1 more source
Amylase Trypsin Inhibitors (ATIs) in a Selection of Ancient and Modern Wheat: Effect of Genotype and Growing Environment on Inhibitory Activities. [PDF]
Plants (Basel), 2022 Simonetti E, Bosi S, Negri L, Dinelli G.
europepmc +1 more source
Wheat amylase/trypsin inhibitors (ATIs): occurrence, function and health aspects. [PDF]
Eur J Nutr, 2022 Geisslitz S +14 more
europepmc +1 more source