Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace
N Singh, L Chaput, BO Villoutreix - Briefings in bioinformatics, 2021 - academic.oup.com
The interplay between life sciences and advancing technology drives a continuous cycle of
chemical data growth; these data are most often stored in open or partially open databases …
chemical data growth; these data are most often stored in open or partially open databases …
Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development
Spike glycoprotein, a class I fusion protein harboring the surface of SARS-CoV-2 (SARS-
CoV-2S), plays a seminal role in the viral infection starting from recognition of the host cell …
CoV-2S), plays a seminal role in the viral infection starting from recognition of the host cell …
Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants – Withania somnifera (Ashwagandha), Tinospora cordifolia …
Abstract COVID-19 (Coronavirus disease 2019) is a transmissible disease initiated and
propagated through a new virus strain SARS-CoV-2 (Severe Acute Respiratory Syndrome …
propagated through a new virus strain SARS-CoV-2 (Severe Acute Respiratory Syndrome …
[HTML][HTML] Pesticide informatics expands the opportunity for structure-based molecular design and optimization
W Zhao, Y Huang, GF Hao - Advanced Agrochem, 2022 - Elsevier
The discovery process of pesticides is confronting more and more difficult obstacles,
including the rising costs of materials and labor, which are costly and time-consuming …
including the rising costs of materials and labor, which are costly and time-consuming …
[PDF][PDF] Makara Journal of Scienc e
RM Wijaya, MA Hafidzhah, VD Kharisma… - Makara Journal of …, 2021 - researchgate.net
Abstract Coronavirus disease 2019 (COVID-19), which is caused by severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), has become a worldwide pandemic …
respiratory syndrome coronavirus 2 (SARS-CoV-2), has become a worldwide pandemic …
Molecular docking of phytochemicals targeting GFRs as therapeutic sites for cancer: an in silico study
LE Mendie, S Hemalatha - Applied biochemistry and biotechnology, 2022 - Springer
Drug delivery in a safe manner is a major challenge in the drug development process.
Growth factor receptors (GFRs) are known to have profound roles in the growth and …
Growth factor receptors (GFRs) are known to have profound roles in the growth and …
Mechanism of gating and partial agonist action in the glycine receptor
Ligand-gated ion channels mediate signal transduction at chemical synapses and transition
between resting, open, and desensitized states in response to neurotransmitter binding …
between resting, open, and desensitized states in response to neurotransmitter binding …
DeepBindRG: a deep learning based method for estimating effective protein–ligand affinity
Proteins interact with small molecules to modulate several important cellular functions. Many
acute diseases were cured by small molecule binding in the active site of protein either by …
acute diseases were cured by small molecule binding in the active site of protein either by …
Charge disproportionate molecular redox for discrete memristive and memcapacitive switching
Electronic symmetry breaking by charge disproportionation results in multifaceted changes
in the electronic, magnetic and optical properties of a material, triggering ferroelectricity …
in the electronic, magnetic and optical properties of a material, triggering ferroelectricity …
In silico Prediction, Characterization, Molecular Docking, and Dynamic Studies on Fungal SDRs as Novel Targets for Searching Potential Fungicides Against …
Vascular wilt of tomato caused by Fusarium oxysporum f. sp. lycopersici (FOL) is one of the
most devastating diseases, that delimits the tomato production worldwide. Fungal short …
most devastating diseases, that delimits the tomato production worldwide. Fungal short …