Enhancing Ligand Pose Sampling for Molecular Docking.

Deep learning promises to dramatically improve scoring functions for molecular docking, leading to substantial advances in binding pose prediction and virtual screening. To train scoring functions-and to perform molecular docking-one must generate a set of candidate ligand binding poses. Unfortunately, the sampling protocols currently used to generate candidate poses frequently fail to produce any poses close to the correct, experimentally determined pose, unless information about the correct pose is provided.

Characterization of the Type 2 L-Asparaginase Gene in Thermohalophilic Bacterial from Wawolesea Hot Springs, Southeast Sulawesi, Indonesia.

<b>Background and Objective:</b> Type 2 L-asparaginase enzyme can be used as a cancer therapy agent and prevent acrylamide formation in food products. Enzymes produced by thermohalophilic bacteria can provide high activity at high temperatures so they are needed on an industrial scale. Hence, this study aims to determine the characteristics of the gene encoding type 2 L-asparaginase enzyme in the thermohalophilic bacterial isolate CAT3.

Protein model quality assessment using rotation-equivariant transformations on point clouds.

Machine learning research concerning protein structure has seen a surge in popularity over the last years with promising advances for basic science and drug discovery. Working with macromolecular structure in a machine learning context requires an adequate numerical representation, and researchers have extensively studied representations such as graphs, discretized 3D grids, and distance maps. As part of CASP14, we explored a new and conceptually simple representation in a blind experiment: atoms as points in 3D, each with associated features.

Phenotypic Characterization and Identification of Potential L-Asparaginase-Producing Thermohalophilic Bacteria from Wawolesea Hot Spring, North Konawe, Southeast Sulawesi, Indonesia.

<b>Background and Objective:</b> L-asparaginase-producing thermohalophilic bacteria have the potential of producing an enzyme tolerant to high heat and salt levels. This enzyme, L-asparaginase, can be used as a biological agent for the cancer therapy of acute lymphoblastic leukemia and melanosarcoma as it has a specific ability to inhibit the formation of nutrients for cancer cells. This enzyme is also used effectively in food industries operating at high temperatures due to its ability to reduce acrylamide, a trigger of cancer cells.

Structural modeling of Bajo fishers social resilience in a marine national park.

This article describes and compares three modelings of the relationship between Sama Bajo boat-dwellers Bagai land-dwellers social capital and the social resilience of Sama Bajo in three local social contexts of land-dwellers in Wakatobi National Park (WNP). The research was conducted from May 2018 until June 2019 in Mantigola Sama Bajo on Kaledupa Island, Lamanggau Sama Bajo on Tomia Island, and Mola Sama Bajo on Wangi-wangi Island. Information was collected from 240 respondents who were selected by spatial sampling technique.

Characteristics Evaluation of a Barcode Sequence of Two (Anura) Sympatric Populations from Kendari, Southeast Sulawesi.

<b>Background and Objective:</b> Cytochrome c oxidase gene subunit-I (COI) has conserved and variable regions and along with the 658 nucleotide base pairs at the '5 of these have been used as animal barcode, species identification and evolutionary studies of several vertebrates, especially Anura. This research was conducted to characterize the nucleotides of the COI sequence gene of (<i>Limnonectes cf. grunniens</i>) that live sympatrically with <i>L.

Characterization of Bacterial Cellulose Produced by train LKN6 Using Sago Liquid Waste as Nutrient Source.

<b>Background and Objective:</b> Bacterial Cellulose (BC) is an exopolysaccharide produced by bacteria with unique structural and mechanical properties and is highly pure compared to plant cellulose. This study aimed to produce novel bacterial cellulose using sago liquid waste substrate and evaluate its characteristics as a potential bioplastic.<b>Materials and Methods:</b> Production of BC by static batch fermentation was studied in sago liquid waste substrate usingAcetobacter xylinumLKN6.