Found: 23
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Dynamics of CYP51: implications for function and inhibitor design.
- Published in:
- Journal of Molecular Recognition, 2015, v. 28, n. 2, p. 59, doi. 10.1002/jmr.2412
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- Publication type:
- Article
Investigating the Effectiveness of Different Porous Nanoparticles as Drug Carriers for Retaining the Photostability of Pinosylvin Derivative.
- Published in:
- Pharmaceutics, 2024, v. 16, n. 2, p. 276, doi. 10.3390/pharmaceutics16020276
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- Publication type:
- Article
A rapid method for selecting suitable animal species for studying pathogen interactions with plasma protein ligands in vivo.
- Published in:
- Microbial Biotechnology, 2017, v. 10, n. 3, p. 657, doi. 10.1111/1751-7915.12601
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- Publication type:
- Article
Design, Synthesis, in vitro and in silico Characterization of 2‐Quinolone‐L‐alaninate‐1,2,3‐triazoles as Antimicrobial Agents.
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- ChemMedChem, 2022, v. 17, n. 5, p. 1, doi. 10.1002/cmdc.202100714
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- Publication type:
- Article
Towards peptide vaccines against Zika virus: Immunoinformatics combined with molecular dynamics simulations to predict antigenic epitopes of Zika viral proteins.
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- Scientific Reports, 2016, p. 37313, doi. 10.1038/srep37313
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- Publication type:
- Article
The active-inactive transition of human thymidylate synthase: Targeted molecular dynamics simulations.
- Published in:
- Proteins, 2011, v. 79, n. 10, p. 2886, doi. 10.1002/prot.23123
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- Publication type:
- Article
Isolation and functional analysis of phage‐displayed antibody fragments targeting the staphylococcal superantigen‐like proteins.
- Published in:
- MicrobiologyOpen, 2023, v. 12, n. 4, p. 1, doi. 10.1002/mbo3.1371
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- Publication type:
- Article
Inhibition of Oncogenic Kinases: An In Vitro Validated Computational Approach Identified Potential Multi-Target Anticancer Compounds.
- Published in:
- Biomolecules (2218-273X), 2019, v. 9, n. 4, p. 124, doi. 10.3390/biom9040124
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- Publication type:
- Article
Stilbenoid compounds inhibit NF-κB-mediated inflammatory responses in the Drosophila intestine.
- Published in:
- Frontiers in Immunology, 2023, p. 1, doi. 10.3389/fimmu.2023.1253805
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- Publication type:
- Article
Interactions between polymeric nanoparticles and different buffers as investigated by zeta potential measurements and molecular dynamics simulations.
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- View (2688-268X), 2022, v. 3, n. 4, p. 1, doi. 10.1002/VIW.20210009
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- Publication type:
- Article
Protonation Dynamics in the K-Channel of Cytochrome c Oxidase Estimated from Molecular Dynamics Simulations.
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- Processes, 2021, v. 9, n. 2, p. 265, doi. 10.3390/pr9020265
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- Publication type:
- Article
Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development.
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- Processes, 2021, v. 9, n. 1, p. 71, doi. 10.3390/pr9010071
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- Publication type:
- Article
Tailored Approaches in Drug Development and Diagnostics: From Molecular Design to Biological Model Systems.
- Published in:
- Advanced Healthcare Materials, 2017, v. 6, n. 21, p. n/a, doi. 10.1002/adhm.201700258
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- Publication type:
- Article
Computational approaches to identifying and characterizing protein binding sites for ligand design.
- Published in:
- Journal of Molecular Recognition, 2010, v. 23, n. 2, p. 209, doi. 10.1002/jmr.984
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- Publication type:
- Article
Identification of HPr kinase/phosphorylase inhibitors: novel antimicrobials against resistant Enterococcus faecalis.
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- Journal of Computer-Aided Molecular Design, 2022, v. 36, n. 7, p. 507, doi. 10.1007/s10822-022-00461-6
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- Publication type:
- Article
Destabilizers of the thymidylate synthase homodimer accelerate its proteasomal degradation and inhibit cancer growth.
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- eLife, 2023, p. 1, doi. 10.7554/eLife.73862
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- Publication type:
- Article
Multivalent Interactions of Human Primary Amine Oxidase with the V and C2<sub>2</sub> Domains of Sialic Acid-Binding Immunoglobulin-Like Lectin-9 Regulate Its Binding and Amine Oxidase Activity.
- Published in:
- PLoS ONE, 2016, v. 11, n. 11, p. 1, doi. 10.1371/journal.pone.0166935
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- Publication type:
- Article
In Situ Coupled Electrochemical‐Goniometry as a Tool to Reveal Conformational Changes of Charged Peptides.
- Published in:
- Advanced Materials Interfaces, 2022, v. 9, n. 4, p. 1, doi. 10.1002/admi.202101480
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- Publication type:
- Article
High-Throughput Molecular Dynamics-Based Alchemical Free Energy Calculations for Predicting the Binding Free Energy Change Associated with the Selected Omicron Mutations in the Spike Receptor-Binding Domain of SARS-CoV-2.
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- Biomedicines, 2022, v. 10, n. 11, p. 2779, doi. 10.3390/biomedicines10112779
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- Article
Molecular Modeling in Drug Design.
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- 2019
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- Publication type:
- Editorial
Solvents to Fragments to Drugs: MD Applications in Drug Design.
- Published in:
- Molecules, 2018, v. 23, n. 12, p. 3269, doi. 10.3390/molecules23123269
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- Publication type:
- Article
Comparative Study of Carborane- and Phenyl-Modified Adenosine Derivatives as Ligands for the A2A and A3 Adenosine Receptors Based on a Rigid in Silico Docking and Radioligand Replacement Assay.
- Published in:
- Molecules, 2018, v. 23, n. 8, p. 1846, doi. 10.3390/molecules23081846
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- Publication type:
- Article
Computational Insight into the Effect of Natural Compounds on the Destabilization of Preformed Amyloid-β(1–40) Fibrils.
- Published in:
- Molecules, 2018, v. 23, n. 6, p. 1320, doi. 10.3390/molecules23061320
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- Publication type:
- Article