1 Molecular Docking and Cogitation Validate Mefenamic Acid Prodrugs as Human Cyclooxygenase-2 Inhibitor.

2 A simple approach to generate gene-expression profiles from subsets of cancer genomics data.

3 Molecular fingerprint-derived similarity measures for toxicological read-across: Recommendations for optimal use.

4 A comparison between mouse, in silico, and robot odor plume navigation reveals advantages of mouse odor-tracking.

5 Molecular docking and in silico studies of the physicochemical properties of potential inhibitors for the phosphotransferase system of Streptococcus mutans.

6 Clinical and Echocardiographic Predictors of Outcomes in Patients With Pulmonary Hypertension.

7 predictive toxicology: modeling chemical induced toxicological response combining circular fingerprints with random forest and support vector machine

8 screening of bioactive compounds of as potential inhibitors targeting HIF-1α/VEGF/GLUT-1 pathway against Breast Cancer.

9 Podium Session 4: Oncology - Prostate Monday, July 1, 2024 • 9:00-10:00.

10 Poster Session 2: Endourology, BPH (Part 1) Sunday, June 30, 2024 • 16:10-17:40.

11 Short-term reactivation of retinopathy of prematurity following primary ranibizumab treatment.

12 Burden of multiple high-risk factors in pregnancy before and after the universal two-child policy in Chinese women: An observational study.

13 In silico studies on quercetin, myricetin, and kaempferol in inhibiting TGF-β1 and galectin- 3 for cardiac fibrosis management.

14 Sulfonamide derivatives as inhibitors: in silico approach.

15 In silico synthesis of carbon molecular sieves for high-performance air separation

16 Enhanced fluorescence, morphological and thermal properties of CdSe/ZnS quantum dots incorporated in silicone resin.

17 Anti-leishmanial and cytotoxic activities of amino acid-triazole hybrids: Synthesis, biological evaluation, molecular docking and in silico physico-chemical properties

18 Biological activities and in silico physico-chemical properties of 1,2,3-triazoles derived from natural bioactive alcohols

19 Synthesis, in vitro biological evaluation and in silico studies of certain arylnicotinic acids conjugated with aryl (thio)semicarbazides as a novel class of anti-leishmanial agents.

20 Novel fluorine-containing chiral hydrazide-hydrazones: Design, synthesis, structural elucidation, antioxidant and anticholinesterase activity, and in silico studies.

21 Femtosecond Laser-Induced Thermal Transport in Silicon with Liquid Cooling Bath.

22 Femtosecond Laser-Induced Thermal Transport in Silicon with Liquid Cooling Bath.

23 Current advances of triazole alcohols derived from fluconazole: Design, in vitro and in silico studies.

24 Exploiting chitosan and gold nanoparticles for antimycobacterial activity of in silico identified antimicrobial motif of human neutrophil peptide-1

25 In vitro and in silico evaluation of Centaurea saligna (K.Koch) Wagenitz-An endemic folk medicinal plant.

26 TCPro: an In Silico Risk Assessment Tool for Biotherapeutic Protein Immunogenicity.

27 Synthesis, Biological and In Silico Evaluation of Pure Nucleobase-Containing Spiro (Indane-Isoxazolidine) Derivatives as Potential Inhibitors of MDM2–p53 Interaction

28 Synthesis, Biological Evaluation and In Silico Computational Studies of 7-Chloro-4-(1-1,2,3-triazol-1-yl)quinoline Derivatives: Search for New Controlling Agents against (Lepidoptera: Noctuidae) Larvae.

29 In silico analysis of drought responsive transposons and transcription factors in Solanum tuberosum L.

30 In Silico Prediction of Cell Wall Remodeling Genes in Tomato, Banana, Melon and Grape

31 Structural basis of development of multi-epitope vaccine against Middle East respiratory syndrome using in silico approach

32 In silico analysis of drought responsive transposons and transcription factors in Solanum tuberosum L.

33 In silico analysis of drought responsive transposons and transcription factors in Solanum tuberosum L.

34 Peptide-Protein Interaction Studies of Antimicrobial Peptides Targeting Middle East Respiratory Syndrome Coronavirus Spike Protein: An In Silico Approach

35 In Silico Screening of Aptamers Configuration against Hepatitis B Surface Antigen

36 Structural basis of development of multi-epitope vaccine against Middle East respiratory syndrome using in silico approach

37 In Silico Prediction of Cell Wall Remodeling Genes in Tomato, Banana, Melon and Grape

38 In silico probing exercises, bioactive-conformational and dynamic simulations strategies for designing and promoting selective therapeutics against Helicobacter pylori strains.

39 A non-dominated sorting Differential Search Algorithm Flux Balance Analysis (ndsDSAFBA) for in silico multiobjective optimization in identifying reactions knockout.

40 Identification of enzyme(s) capable of degrading endosulfan and endosulfan sulfate using in silico techniques.

41 In silico generation of laccase mutants from lacc 6 of Pleurotus ostreatus and bacterial enzymes

42 In silico Analysis for Laccase-mediated Bioremediation of the Emerging Pharmaceutical Pollutants

43 Systematic Review on Cytotoxic and Anticancer Potential of N-Substituted Isatins as Novel Class of Compounds Useful in Multidrug-Resistant Cancer Therapy: In Silico and In Vitro Analysis.

44 Crassocephalum rubens, a leafy vegetable, suppresses oxidative pancreatic and hepatic injury and inhibits key enzymes linked to type 2 diabetes: An ex vivo and in silico study.

45 Cloning of acetyl-CoA acetyltransferase gene from Halomonas elongata BK-AG18 and in silico analysis of its gene product

46 In silico, in vitro and in vivo analysis of putative virulence factors identified in large clostridial toxin-negative, binary toxin producing C. difficile strains.

47 In silico discovery of potential drug molecules to improve the treatment of isoniazid-resistant Mycobacterium tuberculosis

48 Discovery of membrane permeability, pharmacokinetics properties and mechanism of action for analogs of ethylenediamine-n,n′-di-2-(3-cyclohexyl)propionic acid and 1,3-propandiamine-n,n′-di-2-(3-cyclohexyl)propionic acid with antiproliferative activity using in vitro and in silico methods

49 In silico identification of natural products with anticancer activity using a chemo-structural database of Brazilian biodiversity.

50 Model-based in silico analysis of the PI3K/Akt pathway: the elucidation of cross-talk between diabetes and breast cancer

51 Sibe: a computation tool to apply protein sequence statistics to predict folding and design in silico.

52 In silico prediction of drug-induced developmental toxicity by using machine learning approaches.

53 Multi-targeted potential of Pittosporum senacia Putt.: HPLC-ESI-MS analysis, in silico docking, DNA protection, antimicrobial, enzyme inhibition, anti-cancer and apoptotic activity.

54 Indole-derived water-soluble N, O bi-dentate ligand-based mononuclear transition metal complexes: in silico and in vitro biological screening, molecular docking and macromolecule interaction studies.

55 Suburbia reimagined: Asian immigration and the form and function of faith-based institutions in Silicon Valley

56 [Interference research of umbilical cord mesenchymal stem cells on the pulmonary fibrosis in silicosis rats].

57 A click chemistry approach for the synthesis of cyclic ureido tethered coumarinyl and 1-aza coumarinyl 1,2,3-triazoles as inhibitors of Mycobacterium tuberculosis H37Rv and their in silico studies

58 In silico determination of intracellular glycosylation and phosphorylation sites in human selectins: implications for biological function.

59 In Silico Methods in Antibody Design.

60 Evaluation of drug candidature: In silico ADMET, binding interactions with CDK7 and normal cell line studies of potentially anti-breast cancer enamidines.

61 Design, synthesis, in silico and in vitro antimicrobial screenings of novel 1,2,4-triazoles carrying 1,2,3-triazole scaffold with lipophilic side chain tether.

62 Synthesis, computational quantum chemical study, in silico ADMET and molecular docking analysis, in vitro biological evaluation of a novel sulfur heterocyclic thiophene derivative containing 1,2,3-triazole and pyridine moieties as a potential human topoisomerase IIα inhibiting anticancer agent

63 In silico and BSA binding study of some new biological analogs of 1,2,4-triazolependant with azinane through microwave and conventional synthesis.

64 Biological activities and in silico physico-chemical properties of 1,2,3-triazoles derived from natural bioactive alcohols

65 IN SILICO STUDY FOR INVESTIGATING AND PREDICTING THE ACTIVITIES OF 1,2,4-TRIAZOLE DERIVATIES AS POTENT ANTI-TUBERCULAR AGENTS

66 Leucine/Pd-loaded (5,5) single-walled carbon nanotube matrix as a novel nanobiosensors for in silico detection of protein.

67 Structural, functional, and evolutionary analysis of late embryogenesis abundant proteins (LEA) in Triticum aestivum: A detailed molecular level biochemistry using in silico approach

68 Exonic Splicing Mutations Are More Prevalent than Currently Estimated and Can Be Predicted by Using In Silico Tools.

69 Exploring biological efficacy of coumarin clubbed thiazolo[3,2-b][1,2,4]triazoles as efficient inhibitors of urease: A biochemical and in silico approach.

70 Differential tissue growth and cell adhesion alone drive early tooth morphogenesis: An ex vivo and in silico study.

71 In silico study of α-γ phase transformation in hexahydro-1,3,5-trinitro-1,3,5-triazine

72 Identification, structure-activity relationship and in silico molecular docking analyses of five novel angiotensin I-converting enzyme (ACE)-inhibitory peptides from stone fish (Actinopyga lecanora) hydrolysates.

73 The CYSMA web server: an example of integrative tool for in silico analysis of missense variants identified in Mendelian disorders.

74 Design of a Repellent Against Aedes aegypti (Diptera: Culicidae) Using in silico Simulations With AaegOBP1 Protein.

75 Preformulation Studies and Enabling Formulation Selection for an Insoluble Compound at Preclinical Stage-From In Vitro, In Silico to In Vivo.

76 Utilization of In Vitro, In Vivo and In Silico Tools to Evaluate the pH-Dependent Absorption of a BCS Class II Compound and Identify a pH-Effect Mitigating Strategy.

77 In silico model-based characterization of metabolic response to harsh sparging stress in fed-batch CHO cell cultures.

78 In silico structural and functional characterization and phylogenetic study of alkaline phosphatase in bacterium, Rhizobium leguminosarum (Frank 1879).

79 In silico and in vitro analysis of quorum quenching active phytochemicals from the ethanolic extract of medicinal plants against quorum sensing mediated virulence factors of acinetobacter baumannii

80 Structural basis of pyrazolopyrimidine derivatives as CAMKIIδ kinase inhibitors: insights from 3D QSAR, docking studies and in silico ADMET evaluation

81 Combining in silico and in vitro approaches to identification of potent inhibitor against phospholipase A2 (PLA2).

82 Optimization study towards more potent thiazolidine-2,4-dione IKK-β modulator: Synthesis, biological evaluation and in silico docking simulation

83 Possible role of rivoglitazone thiazolidine class of drug as dual-target therapeutic agent for bacterial infections: An in silico study

84 Synthesis, characterization, in silico and antifungal studies of thiazolidine analogues

85 Toxicities of 4,5-Dihydroisoxazoles Against Root-Knot Nematodes and in Silico Studies of Their Modes of Action.

86 Synthesis of new indazole based dual inhibitors of α-glucosidase and α-amylase enzymes, their in vitro, in silico and kinetics studies.

87 In Vitro Dissolution and in Silico Modeling Shortcuts in Bioequivalence Testing.

88 Synthesis, in vitro and in silico studies of S-alkylated 5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiols as cholinesterase inhibitors.

89 Purification of fucoxanthin from Sargassum wightii Greville and understanding the inhibition of angiotensin 1-converting enzyme: An in vitro and in silico studies.

90 In silico unravelling pathogen-host signaling cross-talks via pathogen mimicry and human protein-protein interaction networks.

91 In silico spectral libraries by deep learning facilitate data-independent acquisition proteomics

92 Detection of typical defects in silicon photovoltaic modules and application for plants with distributed MPPT configuration

93 Deficiency in silicon transporter lsi1 compromises inducibility of anti-herbivore defense in rice plants

94 Synthesis, in vitro biological evaluation and in silico molecular docking studies of novel β-lactam-anthraquinone hybrids.

95 Engineering of Naproxen Loaded Polymer Hybrid Enteric Microspheres for Modified Release Tablets: Development, Characterization, in silico Modelling and in vivo Evaluation.

96 Ultrathin silicon oxide prepared by in-line plasma-assisted N<inf>2</inf>O oxidation (PANO) and the application for n-type polysilicon passivated contact

97 Correction to: Structure-based in silico screening identifies a potent ebolavirus inhibitor from a traditional chinese medicine library (Journal of Medicinal Chemistry (2019) 62:6 (2928-2937) DOI: 10.1021/acs.jmedchem.8b01328)

98 Combination of HDX-MS and in silico modeling to study enzymatic reactivity and stereo-selectivity at different solvent conditions.

99 Degradation of the anticancer drug flutamide by solar photo-Fenton treatment at near-neutral pH: Identification of transformation products and in silico (Q)SAR risk assessment.

100 In silico structure-based design and synthesis of novel anti-RSV compounds.

101 Antiparasitic activity of furanyl N-acylhydrazone derivatives against Trichomonas vaginalis: in vitro and in silico analyses.

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