Item request has been placed! ×
Item request cannot be made. ×
loading  Processing Request
Academic Journal

In Silico Design and Synthesis of Antifungal Peptides Guided by Quantitative Antifungal Activity.

  • Authors : Zhang J; School of Public Health/Key Laboratory of Endemic and Ethnic Diseases, Ministry of Education & Key Laboratory of Medical Molecular Biology of Guizhou Province, Guizhou Medical University, Guiyang 561113, China.; Sun X

Subjects: Antifungal Agents*/Antifungal Agents*/Antifungal Agents*/pharmacology ; Antifungal Agents*/Antifungal Agents*/Antifungal Agents*/chemistry ; Antifungal Agents*/Antifungal Agents*/Antifungal Agents*/chemical synthesis

  • Source: Journal of chemical information and modeling [J Chem Inf Model] 2024 May 27; Vol. 64 (10), pp. 4277-4285. Date of Electronic Publication: 2024 May 14.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic

Record details

×
Academic Journal

MetSim: Integrated Programmatic Access and Pathway Management for Xenobiotic Metabolism Simulators.

  • Authors : Groff L; Center for Computational Toxicology and Exposure (CCTE), Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina 27711, United States.; Williams A

Subjects: Xenobiotics*/Xenobiotics*/Xenobiotics*/metabolism ; Software* ; Computer Simulation*

  • Source: Chemical research in toxicology [Chem Res Toxicol] 2024 May 20; Vol. 37 (5), pp. 685-697. Date of Electronic Publication: 2024 Apr 10.Publisher: American Chemical Society Country of Publication: United States NLM ID: 8807448 Publication Model: Print-Electronic

Record details

×
Academic Journal

HSQC Spectra Simulation and Matching for Molecular Identification.

  • Authors : Priessner M; Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), BioPharmaceuticals R&D, AstraZeneca, Pepparedsleden 1, 43183 Mölndal, Sweden.; Lewis RJ

Subjects: Computer Simulation*; Neural Networks, Computer

  • Source: Journal of chemical information and modeling [J Chem Inf Model] 2024 Apr 22; Vol. 64 (8), pp. 3180-3191. Date of Electronic Publication: 2024 Mar 27.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic

Record details

×
Academic Journal

In Silico Prediction of Oral Acute Rodent Toxicity Using Consensus Machine Learning.

Subjects: Machine Learning* ; Computer Simulation*; Animals

  • Source: Journal of chemical information and modeling [J Chem Inf Model] 2024 Apr 22; Vol. 64 (8), pp. 3114-3122. Date of Electronic Publication: 2024 Mar 18.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic

Record details

×
Academic Journal

SpaceANOVA: Spatial Co-occurrence Analysis of Cell Types in Multiplex Imaging Data Using Point Process and Functional ANOVA.

  • Authors : Seal S; Department of Public Health Sciences, Medical University of South Carolina Charleston, South Carolina 29425, United States.; Neelon B

Subjects: Computer Simulation*; Analysis of Variance

  • Source: Journal of proteome research [J Proteome Res] 2024 Apr 05; Vol. 23 (4), pp. 1131-1143. Date of Electronic Publication: 2024 Feb 28.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101128775 Publication Model: Print-Electronic

Record details

×
Academic Journal

Prediction of Small-Molecule Developability Using Large-Scale In Silico ADMET Models.

  • Authors : Beckers M; Novartis Institutes for BioMedical Research, Novartis Pharma AG, Postfach, 4002 Basel, Switzerland.; Sturm N

Subjects: Computer Simulation*

  • Source: Journal of medicinal chemistry [J Med Chem] 2023 Oct 26; Vol. 66 (20), pp. 14047-14060. Date of Electronic Publication: 2023 Oct 10.Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic

Record details

×
Academic Journal

Electronic Properties of DNA Origami Nanostructures Revealed by In Silico Calculations.

  • Authors : Demir B; Department of Materials Science & Nanotechnology Engineering, TOBB University of Economics and Technology, Ankara 06560, Türkiye.; Bionanodesign Laboratory, Department of Biomedical Engineering, TOBB University of Economics and Technology, Ankara 06560, Türkiye.

Subjects: Nanostructures*/Nanostructures*/Nanostructures*/chemistry ; DNA*/DNA*/DNA*/chemistry ; Molecular Dynamics Simulation*

  • Source: The journal of physical chemistry. B [J Phys Chem B] 2024 May 16; Vol. 128 (19), pp. 4646-4654. Date of Electronic Publication: 2024 May 07.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic

Record details

×
Academic Journal

In Vitro Simulation of the Fasted Gastric Conditions and Their Variability to Elucidate Contrasting Properties of the Marketed Dabigatran Etexilate Pellet-Filled Capsules and Loose Pellets.

Subjects: Dabigatran*/Dabigatran*/Dabigatran*/chemistry ; Dabigatran*/Dabigatran*/Dabigatran*/administration & dosage ; Dabigatran*/Dabigatran*/Dabigatran*/pharmacology

  • Source: Molecular pharmaceutics [Mol Pharm] 2024 May 06; Vol. 21 (5), pp. 2456-2472. Date of Electronic Publication: 2024 Apr 03.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101197791 Publication Model: Print-Electronic

Record details

×
Academic Journal

Combining Scattering Experiments and Colloid Theory to Characterize Charge Effects in Concentrated Antibody Solutions.

  • Authors : Gulotta A; Physical Chemistry, Department of Chemistry, Lund University, Lund SE-221 00, Sweden.; Polimeni M

Subjects: Colloids*/Colloids*/Colloids*/chemistry ; Antibodies, Monoclonal*/Antibodies, Monoclonal*/Antibodies, Monoclonal*/chemistry ; Immunoglobulin G*/Immunoglobulin G*/Immunoglobulin G*/chemistry

  • Source: Molecular pharmaceutics [Mol Pharm] 2024 May 06; Vol. 21 (5), pp. 2250-2271. Date of Electronic Publication: 2024 Apr 25.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101197791 Publication Model: Print-Electronic

Record details

×
Academic Journal

Comparative Evaluation of Dissolution Performance in a USP 2 Setup and Alternative Stirrers and Vessel Designs: A Systematic Computational Investigation.

  • Authors : Salehi N; Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109, United States.; Department of Pharmaceutical Sciences, University of Michigan, Ann Arbor, Michigan 48109, United States.

Subjects: Solubility* ; Hydrodynamics*; Drug Liberation

  • Source: Molecular pharmaceutics [Mol Pharm] 2024 May 06; Vol. 21 (5), pp. 2406-2414. Date of Electronic Publication: 2024 Apr 19.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101197791 Publication Model: Print-Electronic

Record details

×
  • 1-10 of  11,175 results for ""Computer Simulation""