Homology modeling in drug discovery: Overview, current applications, and future perspectives
MT Muhammed, E Aki‐Yalcin - Chemical biology & drug design, 2019 - Wiley Online Library
Homology modeling is one of the computational structure prediction methods that are used
to determine protein 3D structure from its amino acid sequence. It is considered to be the …
to determine protein 3D structure from its amino acid sequence. It is considered to be the …
Application of molecular simulation methods in food science: status and prospects
Y Yu, S Xu, R He, G Liang - Journal of Agricultural and Food …, 2023 - ACS Publications
Molecular simulation methods, such as molecular docking, molecular dynamic (MD)
simulation, and quantum chemical (QC) calculation, have become popular as …
simulation, and quantum chemical (QC) calculation, have become popular as …
Self-tunable engineered yeast probiotics for the treatment of inflammatory bowel disease
Inflammatory bowel disease (IBD) is a complex chronic inflammatory disorder of the
gastrointestinal tract. Extracellular adenosine triphosphate (eATP) produced by the …
gastrointestinal tract. Extracellular adenosine triphosphate (eATP) produced by the …
[HTML][HTML] Role of changes in SARS-CoV-2 spike protein in the interaction with the human ACE2 receptor: An in silico analysis
Many human viral diseases are a consequence of a zoonotic event. Some of the diseases
caused by these zoonotic events have affected millions of people around the world, some of …
caused by these zoonotic events have affected millions of people around the world, some of …
Development of epitope‐based peptide vaccine against novel coronavirus 2019 (SARS‐COV‐2): Immunoinformatics approach
Recently, a novel coronavirus (SARS‐COV‐2) emerged which is responsible for the recent
outbreak in Wuhan, China. Genetically, it is closely related to SARS‐CoV and MERS‐CoV …
outbreak in Wuhan, China. Genetically, it is closely related to SARS‐CoV and MERS‐CoV …
Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes
AD Elmezayen, A Al-Obaidi, AT Şahin… - Journal of Biomolecular …, 2021 - Taylor & Francis
Abstract In December 2019, COVID-19 epidemic was described in Wuhan, China, and the
infection has spread widely affecting hundreds of thousands. Herein, an effort was made to …
infection has spread widely affecting hundreds of thousands. Herein, an effort was made to …
[HTML][HTML] 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 …
Reverse vaccinology approach to design a novel multi-epitope vaccine candidate against COVID-19: an in silico study
M Enayatkhani, M Hasaniazad, S Faezi… - Journal of …, 2021 - Taylor & Francis
Abstract At present, novel Coronavirus (2019-nCoV, the causative agent of COVID-19) has
caused worldwide social and economic disruption. The disturbing statistics of this infection …
caused worldwide social and economic disruption. The disturbing statistics of this infection …
[HTML][HTML] Identification of SARS-CoV-2 cell entry inhibitors by drug repurposing using in silico structure-based virtual screening approach
The rapidly spreading, highly contagious and pathogenic SARS-coronavirus 2 (SARS-CoV-
2) associated Coronavirus Disease 2019 (COVID-19) has been declared as a pandemic by …
2) associated Coronavirus Disease 2019 (COVID-19) has been declared as a pandemic by …
[HTML][HTML] An in silico deep learning approach to multi-epitope vaccine design: a SARS-CoV-2 case study
The rampant spread of COVID-19, an infectious disease caused by SARS-CoV-2, all over
the world has led to over millions of deaths, and devastated the social, financial and political …
the world has led to over millions of deaths, and devastated the social, financial and political …