[HTML][HTML] CADD, AI and ML in drug discovery: A comprehensive review

D Vemula, P Jayasurya, V Sushmitha, YN Kumar… - European Journal of …, 2023‏ - Elsevier
Computer-aided drug design (CADD) is an emerging field that has drawn a lot of interest
because of its potential to expedite and lower the cost of the drug development process …

Molecular docking and structure-based drug design strategies

LG Ferreira, RN Dos Santos, G Oliva, AD Andricopulo - Molecules, 2015‏ - mdpi.com
Pharmaceutical research has successfully incorporated a wealth of molecular modeling
methods, within a variety of drug discovery programs, to study complex biological and …

The potential of systems biology to discover antibacterial mechanisms of plant phenolics

CS Rempe, KP Burris, SC Lenaghan… - Frontiers in …, 2017‏ - frontiersin.org
Drug resistance of bacterial pathogens is a growing problem that can be addressed through
the discovery of compounds with novel mechanisms of antibacterial activity. Natural …

Small‐Molecule Stabilization of Protein–Protein Interactions: An Underestimated Concept in Drug Discovery?

P Thiel, M Kaiser, C Ottmann - … Chemie International Edition, 2012‏ - Wiley Online Library
The modulation of protein–protein interactions (PPIs) has been recognized as one of the
most challenging tasks in drug discovery. While their systematic development has long been …

Visualization of biomolecular structures: State of the art revisited

B Kozlíková, M Krone, M Falk, N Lindow… - Computer Graphics …, 2017‏ - Wiley Online Library
Structural properties of molecules are of primary concern in many fields. This report provides
a comprehensive overview on techniques that have been developed in the fields of …

[ספר][B] Advances in protein chemistry and structural biology

R Donev - 2024‏ - books.google.com
Advances in Protein Chemistry and Structural Biology, Volume 138 covers reviews of
methodology and research in all aspects of protein chemistry, including …

[HTML][HTML] Open source molecular modeling

S Pirhadi, J Sunseri, DR Koes - Journal of Molecular Graphics and …, 2016‏ - Elsevier
The success of molecular modeling and computational chemistry efforts are, by definition,
dependent on quality software applications. Open source software development provides …

Plants release precursors of histone deacetylase inhibitors to suppress growth of competitors

S Venturelli, RG Belz, A Kämper, A Berger… - The Plant …, 2015‏ - academic.oup.com
To secure their access to water, light, and nutrients, many plant species have developed
allelopathic strategies to suppress competitors. To this end, they release into the …

A survey of scholarly literature describing the field of bioinformatics education and bioinformatics educational research

AJ Magana, M Taleyarkhan, DR Alvarado… - CBE—Life Sciences …, 2014‏ - lifescied.org
Bioinformatics education can be broadly defined as the teaching and learning of the use of
computer and information technology, along with mathematical and statistical analysis for …

Temporal evolution of helix hydration in a light-gated ion channel correlates with ion conductance

VA Lórenz-Fonfría, C Bamann, T Resler… - Proceedings of the …, 2015‏ - pnas.org
The discovery of channelrhodopsins introduced a new class of light-gated ion channels,
which when genetically encoded in host cells resulted in the development of optogenetics …