[HTML][HTML] Molecular modeling in drug discovery
With the financial requirements and high time associated with bringing a commercial drug to
the market, the application of computer-aided drug design has been recognized as a …
the market, the application of computer-aided drug design has been recognized as a …
Molecular docking and structure-based drug design strategies
Pharmaceutical research has successfully incorporated a wealth of molecular modeling
methods, within a variety of drug discovery programs, to study complex biological and …
methods, within a variety of drug discovery programs, to study complex biological and …
Enhancing activity prediction models in drug discovery with the ability to understand human language
Activity and property prediction models are the central workhorses in drug discovery and
materials sciences, but currently, they have to be trained or fine-tuned for new tasks. Without …
materials sciences, but currently, they have to be trained or fine-tuned for new tasks. Without …
Dietary polyphenols modulate starch digestion and glycaemic level: A review
L Sun, M Miao - Critical reviews in food science and nutrition, 2020 - Taylor & Francis
Polyphenols, as one group of secondary metabolite, are widely distributed in plants and
have been reported to show various bioactivities in recent year. Starch digestion not only is …
have been reported to show various bioactivities in recent year. Starch digestion not only is …
Discovering Anti-Cancer Drugs via Computational Methods
New drug discovery has been acknowledged as a complicated, expensive, time-consuming,
and challenging project. It has been estimated that around 12 years and 2.7 billion USD, on …
and challenging project. It has been estimated that around 12 years and 2.7 billion USD, on …
Computational methods in drug discovery
Computer-aided drug discovery/design methods have played a major role in the
development of therapeutically important small molecules for over three decades. These …
development of therapeutically important small molecules for over three decades. These …
Polyoxometalate‐soft matter composite materials: design strategies, applications, and future directions
JH Kruse, M Langer, I Romanenko… - Advanced functional …, 2022 - Wiley Online Library
Molecular metal oxides or polyoxometalates (POMs) offer unrivaled properties in areas
ranging from catalysis and energy conversion through to molecular electronics, biomimetics …
ranging from catalysis and energy conversion through to molecular electronics, biomimetics …
Molecular docking and molecular dynamics simulation
Computational drug discovery methods provide valuable insights into the understanding of
protein–ligand interaction systems in a virtual manner. Molecular docking and …
protein–ligand interaction systems in a virtual manner. Molecular docking and …
Structure-based virtual screening for drug discovery: a problem-centric review
Abstract Structure-based virtual screening (SBVS) has been widely applied in early-stage
drug discovery. From a problem-centric perspective, we reviewed the recent advances and …
drug discovery. From a problem-centric perspective, we reviewed the recent advances and …
Docking techniques in pharmacology: How much promising?
Docking techniques in pharmacology: How much promising? - ScienceDirect Skip to main
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