ARTICLE
|
doi:10.20944/preprints202305.0908.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
Deep Learning; Topic Discovery; Latent Dirichlet Allocation; Latent Semantic Analysis; Probabilistic Latent Semantic Analysis
Online: 12 May 2023 (08:52:57 CEST)
ARTICLE
|
doi:10.20944/preprints202301.0221.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
Ion channels; Membrane proteins; Transmembrane proteins; Drug discovery; Protein language models; Convolutional Neural Network
Online: 12 January 2023 (09:21:08 CET)
ARTICLE
|
doi:10.20944/preprints202108.0512.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
oyster mushroom (Pleurotus sp.); PARP protein; 4UND protein; molecular docking; PyRx; BIOVIA drug discovery
Online: 26 August 2021 (16:15:06 CEST)
ARTICLE
|
doi:10.20944/preprints202107.0315.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Myxobacteria; myxochelin; nicotinic acid; secondary metabolites; natural product discovery; precursor-directed biosynthesis; total synthesis
Online: 14 July 2021 (10:03:32 CEST)
ARTICLE
Subject:
Computer Science And Mathematics,
Mathematical And Computational Biology
Keywords:
c-src-tyrosine kinase; QSAR; molecular descriptors; virtual screening; drug discovery; cancer; molecular docking
Online: 25 October 2019 (11:21:43 CEST)
ARTICLE
|
doi:10.20944/preprints201909.0063.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
FABP4; A-FABP; aP2; antidiabetes; antiobesity; antiatherosclerosis; anticancer; computational tools; computer-aided drug discovery
Online: 5 September 2019 (15:39:58 CEST)
ARTICLE
|
doi:10.20944/preprints201811.0627.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
chemical space; chemical data set; chemoinformatics; consensus diversity plot; drug discovery; molecular diversity; visualization
Online: 30 November 2018 (10:06:15 CET)
ARTICLE
|
doi:10.20944/preprints201811.0429.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
drug repurposing; drug repositioning; computational biology; drug discovery; computational pharmacology; malaria; multitargeting; malaria treatment
Online: 19 November 2018 (07:31:08 CET)
REVIEW
|
doi:10.20944/preprints202404.0437.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
neurodegenerative diseases; Parkinson’ s disease; Alzheimer’ s disease; drug discovery; disease-modifying drugs
Online: 5 April 2024 (12:39:57 CEST)
ARTICLE
|
doi:10.20944/preprints202312.2030.v1
Subject:
Biology And Life Sciences,
Aquatic Science
Keywords:
Myzostomida; symbiotic polychaetes; crinoids; Hainan Island; marine biodiversity; echinoderm symbionts; SCUBA; Sanya; new species discovery
Online: 27 December 2023 (10:08:27 CET)
ARTICLE
|
doi:10.20944/preprints202210.0223.v3
Subject:
Biology And Life Sciences,
Virology
Keywords:
Drug discovery; Systems biology; SARS-CoV-2; Dengue; Influenza A; RSV; cell viability analysis; antivirals; in vitro validation; in vivo validation
Online: 22 March 2024 (16:46:59 CET)
ARTICLE
|
doi:10.20944/preprints202111.0125.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
artificial intelligence; de novo design; fragment-based drug discovery; HIV-1 inhibitors; pseudo natural products
Online: 8 November 2021 (09:23:49 CET)
REVIEW
|
doi:10.20944/preprints202109.0491.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
Tuberculosis; Mycobacterium; Diagnostics; Drug Discovery; Antibiotics; Antimicrobial Re-sistance; Microfluidics; Single-Cell Analysis; Bioengineered Models
Online: 29 September 2021 (11:34:04 CEST)
REVIEW
|
doi:10.20944/preprints202106.0305.v1
Subject:
Medicine And Pharmacology,
Immunology And Allergy
Keywords:
dietary flavonoids; cardioprotective effects; ROS scavenging; myocardial dysfunction; bioavailability and drug metabolism; toxicity; drug discovery
Online: 11 June 2021 (08:44:01 CEST)
REVIEW
|
doi:10.20944/preprints202008.0320.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
Data Science; Machine Learning; Deep Learning; Genomics; COVID-19; Drug Discovery; Image Analysis; Interactomics; Epidemiology
Online: 14 August 2020 (11:01:56 CEST)
ARTICLE
|
doi:10.20944/preprints201908.0100.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
cancer biomarker discovery; gene expression data; Ingenuity Knowledge Base (IKB); transfer learning; interpretable classification rules
Online: 8 August 2019 (05:28:26 CEST)
REVIEW
|
doi:10.20944/preprints202404.0055.v1
Subject:
Computer Science And Mathematics,
Mathematical And Computational Biology
Keywords:
Lead optimization; drug discovery; artificial intelligence; machine learning; deep neural networks; cheminformatics; chemical modifications; drug development
Online: 1 April 2024 (13:35:22 CEST)
ARTICLE
Subject:
Biology And Life Sciences,
Anatomy And Physiology
Keywords:
COVID-19; SARS-CoV-2; in silico drug discovery; gene expression profile; tensor decomposition; feature extraction
Online: 8 December 2020 (10:17:05 CET)
ARTICLE
|
doi:10.20944/preprints201912.0049.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
natural product; drug discovery; protoflavonoid; continuous-flow chemistry; oxime; antitumor; antiviral; epstein-barr virus; lytic cycle
Online: 4 December 2019 (11:40:33 CET)
ARTICLE
|
doi:10.20944/preprints201806.0143.v1
Subject:
Arts And Humanities,
Philosophy
Keywords:
induction; naturalism; evidence and justification; epistemic norms; induction and concept formation; induction and discovery of laws
Online: 8 June 2018 (16:24:17 CEST)
REVIEW
|
doi:10.20944/preprints201805.0011.v1
Subject:
Medicine And Pharmacology,
Pharmacology And Toxicology
Keywords:
computational drug repositioning; drug repositioning; drug repurposing; machine learning; deep learning; crowdsourcing; open innovation; drug discovery
Online: 1 May 2018 (12:27:22 CEST)
REVIEW
|
doi:10.20944/preprints202308.0887.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
Drug Discovery; Drug Repurposing; SARS-CoV-2; COVID; Molecular Docking; QSAR; Molecular Dynamic; Virtual Screening; Drug Design
Online: 11 August 2023 (09:03:55 CEST)
ARTICLE
|
doi:10.20944/preprints202301.0039.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
somatic point mutations; non-coding RNA; biomarker discovery; driver genes; non-coding RNAs prioritization; health data analytics
Online: 4 January 2023 (02:22:00 CET)
ARTICLE
|
doi:10.20944/preprints202111.0266.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
Pan-Cancer; somatic point mutations; cancer subtyping; biomarker discovery; driver genes; per-sonalized medicine; health data analytics
Online: 15 November 2021 (13:51:33 CET)
ARTICLE
|
doi:10.20944/preprints201706.0132.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
arylamine N-acetyltransferases; cancer; tuberculosis; drug discovery; traditional Chinese medicine; virtual screening; molecular dynamics simulation; MM-PBSA
Online: 30 June 2017 (11:36:22 CEST)
ARTICLE
|
doi:10.20944/preprints201704.0117.v1
Subject:
Computer Science And Mathematics,
Information Systems
Keywords:
Body sensor network; Smart home, knowledge discovery in BSN data; frequent patterns; periodic patterns and productive pattern.
Online: 18 April 2017 (18:15:50 CEST)
REVIEW
|
doi:10.20944/preprints201812.0273.v3
Subject:
Biology And Life Sciences,
Biophysics
Keywords:
mutations; disease-causing mutations; polymorphism; folding free energy change; binding free energy change; drug discovery; in silico screening
Online: 28 January 2019 (11:39:23 CET)
REVIEW
|
doi:10.20944/preprints201807.0116.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
chemical space; chemoinformatics; data mining; databases; DNMT inhibitors; drug discovery; epi-informatics; molecular modeling; similarity searching; virtual screening
Online: 6 July 2018 (10:04:44 CEST)
REVIEW
|
doi:10.20944/preprints202401.1357.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
HIV-1; AIDS; FDA; Combination antiretroviral therapy; latent reservoirs; apoptosis; drug resistance; anti-HIV-1 drug design and discovery
Online: 18 January 2024 (10:29:57 CET)
REVIEW
|
doi:10.20944/preprints202010.0179.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Non Michaelis-Menten Kinetics; High-throughput screening; allostery; cooperativity; processive kinetics; distributive kinetics; single-molecule; auto-catalytic; drug discovery
Online: 8 October 2020 (13:34:16 CEST)
ARTICLE
|
doi:10.20944/preprints201811.0574.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
activity cliff; activity landscape plotter; epigenetics; docking; drug discovery; D-tools; molecular dynamics; Epi-polypharmacology; SmART; structure-activity relationships
Online: 26 November 2018 (07:14:05 CET)
REVIEW
|
doi:10.20944/preprints202312.0982.v1
Subject:
Medicine And Pharmacology,
Oncology And Oncogenics
Keywords:
HER2; HER2 discovery; HER2 role in cancers; HER 2 low; HER2DX; prognostic; predictive; biomarker; anti-HER therapies; HER2 landmark trials
Online: 13 December 2023 (11:35:40 CET)
REVIEW
|
doi:10.20944/preprints202311.0852.v1
Subject:
Computer Science And Mathematics,
Artificial Intelligence And Machine Learning
Keywords:
Computer-Aided Drug Design (CADD); Machine Learning and Artificial Intelligence (AI); Drug discovery; Chemoinformatics; Molecular modeling; Molecular Docking; Target identification
Online: 14 November 2023 (16:54:42 CET)
REVIEW
|
doi:10.20944/preprints202308.1518.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
SARS-CoV-2; main protease; inhibitors; molecular modeling; molecular dynamics simulations; binding energy calculation; ADME properties; potential therapeutics; drug discovery
Online: 22 August 2023 (07:19:37 CEST)
REVIEW
|
doi:10.20944/preprints202109.0501.v2
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
Antigen Selection; Epitope Selection; Antibody Targeting; Epitope Accessibility; Antibody Engineering; Protein Engineering; Drug Targeting; Model-Informed Drug Discovery and Development
Online: 3 November 2021 (08:26:47 CET)
ARTICLE
|
doi:10.20944/preprints202103.0059.v1
Subject:
Biology And Life Sciences,
Biochemistry And Molecular Biology
Keywords:
Metallothionein (MT); Scientific discovery; Scientific pursuit; Research strategies; upward looking research; Exploratory research; Protein function; Compensation; Moonlighting; multifunctional proteins; Vestiges
Online: 2 March 2021 (09:39:39 CET)
ARTICLE
|
doi:10.20944/preprints202306.1818.v1
Subject:
Biology And Life Sciences,
Biology And Biotechnology
Keywords:
Alternative Splicing; two-colour (GFP/RFP) Fluorescent Reporter; MAPT; Exon-Skipping; FTDP-17; High Content Screening; siRNA; Nucleic Acids Therapeutics; Drug discovery
Online: 26 June 2023 (13:55:26 CEST)
ARTICLE
|
doi:10.20944/preprints202303.0253.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
ASFV; humoral responses; ASFV capsid proteins; ASFV vaccines; ASFV immunity; antigen discovery; luciferase antibody capture assay; luciferase immunoprecipitation assay; viral hemorrhagic fever.
Online: 14 March 2023 (09:43:57 CET)
ARTICLE
|
doi:10.20944/preprints201703.0191.v1
Subject:
Computer Science And Mathematics,
Information Systems
Keywords:
High-dimensional data analysis, Multiple hypothesis testing, False discovery rate, Optimum significance threshold, Maximum for reasonable number of rejected hypotheses, Big data analysis
Online: 24 March 2017 (18:29:35 CET)
REVIEW
|
doi:10.20944/preprints202308.0434.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
In silico studies; drug discovery; SARS-CoV-2; molecular docking; virtual screening; molecular dynamics simulations; drug candidates; antiviral activity; receptor-ligand complex; drug design
Online: 4 August 2023 (11:11:21 CEST)
REVIEW
|
doi:10.20944/preprints202311.0529.v1
Subject:
Public Health And Healthcare,
Primary Health Care
Keywords:
SARS-CoV-2; Papain-like protease; COVID-19; Molecular modelling; Molecular dynamics simulations; Drug discovery; Antiviral drugs; Inhibitors; Therapeutic agents; therapeutic targets; Irreversible inhibitors; Repurposing drugs
Online: 8 November 2023 (16:11:55 CET)
REVIEW
|
doi:10.20944/preprints202006.0078.v1
Subject:
Biology And Life Sciences,
Immunology And Microbiology
Keywords:
COVID-19; vaccine; vaccine development; vaccine discovery; systems biology; machine learning; platform technologies; adjuvants; smart clinical trials; human genetics; regulatory convergence; real world evidence; vaccines safety
Online: 7 June 2020 (10:11:02 CEST)
REVIEW
|
doi:10.20944/preprints202401.1443.v1
Subject:
Medicine And Pharmacology,
Neuroscience And Neurology
Keywords:
The Blood-Brain Barrier (BBB); CNS drug discovery; passive diffusion; active transport; Efflux transporters; Influx Transporters; P-glycoproteins (P-gp); breast cancer resistance protein (BCRP); in silico models
Online: 19 January 2024 (09:32:31 CET)