Recent advances in molecular docking for the research and discovery of potential marine drugs
G Chen, AJ Seukep, M Guo - Marine drugs, 2020 - mdpi.com
Marine drugs have long been used and exhibit unique advantages in clinical practices.
Among the marine drugs that have been approved by the Food and Drug Administration …
Among the marine drugs that have been approved by the Food and Drug Administration …
[HTML][HTML] Computational prediction of protein interfaces: A review of data driven methods
Reliably pinpointing which specific amino acid residues form the interface (s) between a
protein and its binding partner (s) is critical for understanding the structural and …
protein and its binding partner (s) is critical for understanding the structural and …
A candidate multi-epitope vaccine against SARS-CoV-2
T Kar, U Narsaria, S Basak, D Deb, F Castiglione… - Scientific reports, 2020 - nature.com
In the past two decades, 7 coronaviruses have infected the human population, with two
major outbreaks caused by SARS-CoV and MERS-CoV in the year 2002 and 2012 …
major outbreaks caused by SARS-CoV and MERS-CoV in the year 2002 and 2012 …
[HTML][HTML] The HADDOCK2. 2 web server: user-friendly integrative modeling of biomolecular complexes
The prediction of the quaternary structure of biomolecular macromolecules is of paramount
importance for fundamental understanding of cellular processes and drug design. In the era …
importance for fundamental understanding of cellular processes and drug design. In the era …
In-silico design of a multi-epitope vaccine candidate against onchocerciasis and related filarial diseases
Onchocerciasis is a parasitic disease with high socio-economic burden particularly in sub-
Saharan Africa. The elimination plan for this disease has faced numerous challenges. A …
Saharan Africa. The elimination plan for this disease has faced numerous challenges. A …
Updates to the integrated protein–protein interaction benchmarks: docking benchmark version 5 and affinity benchmark version 2
We present an updated and integrated version of our widely used protein–protein docking
and binding affinity benchmarks. The benchmarks consist of non-redundant, high-quality …
and binding affinity benchmarks. The benchmarks consist of non-redundant, high-quality …
Identification of vaccine targets in pathogens and design of a vaccine using computational approaches
Antigen identification is an important step in the vaccine development process.
Computational approaches including deep learning systems can play an important role in …
Computational approaches including deep learning systems can play an important role in …
Performance and its limits in rigid body protein-protein docking
The development of fast Fourier transform (FFT) algorithms enabled the sampling of billions
of complex conformations and thus revolutionized protein-protein docking. FFT-based …
of complex conformations and thus revolutionized protein-protein docking. FFT-based …
Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome
INTRODUCTION The ubiquitin-proteasome system comprises hundreds of distinct pathways
of degradation, which converge at the step of ubiquitin recognition by the proteasome. Five …
of degradation, which converge at the step of ubiquitin recognition by the proteasome. Five …
Molecular basis of the potential interaction of SARS-CoV-2 spike protein to CD147 in COVID-19 associated-lymphopenia
Lymphopenia is considered one of the most characteristic clinical features of the coronavirus
disease 2019 (COVID-19). SARS-CoV-2 infects host cells via the interaction of its spike …
disease 2019 (COVID-19). SARS-CoV-2 infects host cells via the interaction of its spike …