Effect of molecular structure on low-temperature properties of bitumen based on molecular dynamics
S Liu, X Qi, L Shan - Construction and Building Materials, 2022 - Elsevier
Low-temperature cracking is one of the most prevalent distress in asphalt pavement, closely
related to the bitumen low-temperature properties. However, the molecular mechanism of …
related to the bitumen low-temperature properties. However, the molecular mechanism of …
Effects of Glycosylation and d-Amino Acid Substitution on the Antitumor and Antibacterial Activities of Bee Venom Peptide HYL
M Wu, S Ai, Q Chen, X Chen, H Li, Y Li… - Bioconjugate …, 2020 - ACS Publications
Glycosylation is a promising strategy for modulating the physicochemical properties of
peptides. However, the influence of glycosylation on the biological activities of peptides …
peptides. However, the influence of glycosylation on the biological activities of peptides …
Comparison of the united-and all-atom representations of (halo) alkanes based on two condensed-phase force fields optimized against the same experimental data …
MP Oliveira, YMH Gonçalves, SK Ol Gheta… - Journal of Chemical …, 2022 - ACS Publications
The level of accuracy that can be achieved by a force field is influenced by choices made in
the interaction-function representation and in the relevant simulation parameters. These …
the interaction-function representation and in the relevant simulation parameters. These …
DINC-COVID: A webserver for ensemble docking with flexible SARS-CoV-2 proteins
An unprecedented research effort has been undertaken in response to the ongoing COVID-
19 pandemic. This has included the determination of hundreds of crystallographic structures …
19 pandemic. This has included the determination of hundreds of crystallographic structures …
Effect of Stapling on the Thermodynamics of mdm2–p53 Binding
A Maity, AR Choudhury… - Journal of Chemical …, 2021 - ACS Publications
Protein–protein interaction (PPI) is one of the key regulatory features driving biomolecular
processes and hence is targeted for designing therapeutics against diseases. Small …
processes and hence is targeted for designing therapeutics against diseases. Small …
Structural modification and antitumor activity of antimicrobial peptide HYL
M Wu, Q Chen, Y Wang, Y Li, X Zhao, Q Chang - Chinese Chemical Letters, 2020 - Elsevier
HYL derived from the venom of the solitary bee Hylaeus signatus (Hymenoptera: Colletidae)
is an α-helical antimicrobial peptide with 16 residues. To explore whether HYL can be …
is an α-helical antimicrobial peptide with 16 residues. To explore whether HYL can be …
mTOR–mLST8 interaction: hot spot identification through quantum biochemistry calculations
FLS de Oliveira, JV Carletti, FFN Azevedo… - New Journal of …, 2020 - pubs.rsc.org
The characterization of protein–protein interactions (PPIs) is an important step toward the
development of therapeutic strategies. In this regard, the use of quantum calculations …
development of therapeutic strategies. In this regard, the use of quantum calculations …
Effect of nanocellulose on water-oil interfacial tension
M Ledyastuti, J Jason, R Aditama - Key Engineering Materials, 2021 - Trans Tech Publ
Interfacial tension is an important parameter in enhanced oil recovery (EOR). The interaction
between water and oil phase is a determinant factor of the interfacial tension. The interfacial …
between water and oil phase is a determinant factor of the interfacial tension. The interfacial …
[PDF][PDF] Molecular docking and structural analysis for applications in biomedicine
S Hall-Swan - 2023 - repository.rice.edu
In the field of biomedicine, a critical pursuit is to understand how the immune system
combats viral infections and cancer. The cellular immune response relies on Human …
combats viral infections and cancer. The cellular immune response relies on Human …
Identificação de compostos de origem vegetal com potencial farmacológico sobre as proteínas PI3Kα e mTOR
FFN Azevedo - 2022 - repositorio.ufc.br
RESUMO A via PI3K/AKT/mTOR está diretamente envolvida na regulação das principais
vias metabólicas celulares em mamíferos. Alterações nesta via estão relacionadas à …
vias metabólicas celulares em mamíferos. Alterações nesta via estão relacionadas à …