Computational screening

With geographical impedance becoming the major barrier preventing patients from getting timely healthcare service, this study incorporated health seeking behavior in estimating spatial accessibility of relative scarce LDCT resource in China, thus to provide real-world evidence for future government investment and policy making.

11p vishanshan 27-06-2024 1 1   Download

Several studies have proved that Polygenic Risk Score (PRS) is a potential candidate for realizing precision screening. The effectiveness of low-dose computed tomography (LDCT) screening for lung cancer has been proved to reduce lung cancer specific and overall mortality, but the cost-effectiveness of diverse screening strategies remained unclear.

12p vishanshan 27-06-2024 1 1   Download

The intricate balance between the advantages and risks of low-dose computed tomography (LDCT) impedes the utilization of lung cancer screening (LCS). This study aimed to explore the decisional needs and support for shared decision-making for LCS among health care providers and high-risk groups in China.

16p vishanshan 27-06-2024 1 1   Download

Ebook "Exposure and risk assessment of chemical pollution - Contemporary methodology" to perform a review of the computational modelling technology achievements for environmental fate, exposure, hazard, and risk assessment of chemical pollutants in air, water, soil and biota. To discuss the economic significance. To estimate the screening level risk assessment modelling to assess and prioritize chemicals.

538p giangdongdinh 28-05-2024 3 1   Download

Ebook "Cell-penetrating peptides: Methods and protocols" is divided into three parts, summarizing the most important areas of CPP research and hopefully raising relevant questions for further development. Part I briefly presents the historical background of CPP studies and the classifications of the available CPPs, and then summarizes the approaches for prediction of novel CPPs. An overview of penetration studies is also included due to the importance of this CPP for the whole field.

489p dongmelo 27-05-2024 6 2   Download

In this research paper we report the detailed synthesis, spectral (1H-NMR, FT-IR, and UV-Vis), crystal structure determination, DFT studies, and molecular modeling of 4-amino-3-mercapto-5-methyl-1,2,4-triazole (L2) Schiff base ligand and its complexes of cadmium as suitable bioactive agents for the treatment of malaria. From the spectroscopic results, the synthesized Schiff base has potentialtridentate coordination with themetal ion via hydroxy naphthalinic-O, azomethine-N and sulphur atom of the thione group.

17p dianmotminh02 03-05-2024 2 1   Download

In this continuity, the potentiality of D. citrea essential oil was subjected to screening research. The extract yield was obtained experimentally and its chemical characterization was acquired by gas chromatography-mass spectrometry (GC-MS). The determined data was subjected as the input for computational implementations, including density functional theory calculation, molecular docking simulation, and biopharma-potential predicting analyses.

20p dianmotminh02 03-05-2024 1 1   Download

his study focused on finding alkaloid compounds collected from Chemfaces database that inhibit HER2 enzyme employing computational methods such as molecular docking and ADMET prediction. Out of 118 phytochemicals docked to the ATP binding site of the HER2 kinase domain, 10 alkaloid compounds exhibited higher binding affinity than the reference inhibitor and satisfied the Lipinski’s rule of five. All compounds have good pharmacokinetic properties.

10p dianmotminh02 03-05-2024 4 3   Download

This meta-analysis study investigates the effect of computer-based tests on motivation. The random effect model is the basis for calculating the summary effect, and it is found that the 30 articles obtained through the PRISMA method, which consist of four parts, namely identification, screening, eligibility, and included, can be generalized.

17p viarnault 25-04-2024 1 1   Download

Ebook "Targeting protein-protein interactions by small molecules" comprehensively reviews the state-of-the-art strategies developed for protein-protein interaction (PPI) inhibitors, and highlights the success stories in new drug discovery and development. Consisting of two parts with twelve chapters, it demonstrates the design strategies and case studies of small molecule PPI inhibitors. The first part discusses various discovery strategies for small molecule PPI inhibitors, such as high throughput screening, hot spot-based design, computational approaches, and fragment-based design.

332p tracanhphuonghoa1007 22-04-2024 4 2   Download

If you want to create web sites, there are hundreds of books and web pages that claim to show you how. Some of them are very good indeed. But this book isn’t like all those other books and web pages, for a number of important reasons: The Web Book is an electronic book, or ebook. You simply download it as a PDF file from www.the-web-book.com and print it yourself. Or read it on-screen. The Web Book covers all of the technologies that you need to know in order to create Web sites, both using static HTML pages and database-driven sites.

350p longtimenosee08 31-03-2024 2 2   Download

Ebook Paint shop pro 8 for dummies: Part 1 includes contents: Chapter 1: opening, viewing, and saving image files; chapter 2: capturing pictures from paper, camera, or screen; chapter 3: choosing colors, styles, and textures; chapter 4: painting, spraying, and filling; chapter 5: painting with pictures; chapter 6: retouching touchy spots; chapter 7: finessing photos with adjustments; chapter 8: creating artsy effects; chapter 9: adjusting color by bits; chapter 10: laundering your image for brightness, contrast, and color.

205p longtimenosee05 31-03-2024 3 1   Download

Ebook "Control and prediction of solid-state of pharmaceuticals: Experimental and computational approaches" investigates a range of experimental and computational approaches for the discovery of solid forms. Furthermore, we gain, as readers, a better understanding of the key factors underpinning solid-structure and diversity. A major part of this thesis highlights experimental work carried out on two structurally very similar compounds.

267p tudohanhtau1006 29-03-2024 4 1   Download

Ebook "Prokaryotic systems biology (Advances in experimental medicine and biology, Volume 883)" focuses on innovative experimental and computational approaches for charting interaction networks in bacterial species.

326p duongthandue0501 28-02-2024 3 1   Download

Ebook "Fragment-based drug discovery and X-ray crystallography (Topics in current chemistry, Volume 317)" bring together chapters by a number of practitioners in the field, drawn from both the pharmaceutical industry and academia. Our aim has been to highlight the important roles that X-ray crystallography plays in the fragmentapproach: as a sensitive technique for primary screening, its use in combination with other biophysical techniques to allow robust hit validation, and its importance in providing structural information to guide progression from hit to clinical candidate.

235p manmanthanhla0201 26-02-2024 5 1   Download

Ebook "Carbohydrates as drugs" covers all relevant aspects of drug research, e.g. pathobiochemistry of diseases, identification and validation of (emerging) drug targets, structural biology, drugability of targets, drug design approaches, chemogenomics, synthetic chemistry including combinatorial methods, bioorganic chemistry, natural compounds, high-throughput screening, pharmacological in vitro and in vivo investigations,...

242p nhanphanguyet 28-01-2024 5 2   Download

In this study, 54 monoderivatives of 4-mercaptoimidazole (4MC) were screened for their antioxidant activity using computational simulations. The analysis of docking data revealed that 5-Ph-4MC formed strong bonds with the LO and CP450 enzymes, indicating that this compound could inhibit these enzymes.

7p viplato 02-01-2024 5 2   Download

Ebook "Data analytics for protein crystallization" covers various aspects of computational aspects of protein crystallization. Previously, the computational aspects were usually covered as supplementary information in major crystallization books or sometimes they were ignored. This book unites important aspects of data analytics for protein crystallization into a single book.

245p lucchinguyen 28-12-2023 5 2   Download

Ebook "Pro Android 2" includes content: introducing the android computing platform getting your feet wet; using resources, content providers, and intents; exploring security and location based services; building and consuming services; exploring live folders; home screen widgets; android search,... and other contents.

737p haojiubujain07 20-09-2023 9 3   Download

Part 1 book "Trypanosomatid diseases, molecular routes to drug discovery" includes content: Visceral leishmaniasis – Current treatments and needs; chemotherapy of leishmaniasis - a veterinary perspective, pharmacological metabolomics in trypanosomes, drug design and screening by in silico approaches, computational approaches and collaborative drug discovery for trypanosomal diseases,.... and other contents.

308p oursky05 20-09-2023 4 1   Download