GARLEEK: Adding an extra flavor to ONIOM

Related Experiment Video

Updated: Feb 2, 2026

Author Spotlight: Exploring Tea Aroma Using Solvent-Assisted Flavor Evaporation Technique
04:36

Author Spotlight: Exploring Tea Aroma Using Solvent-Assisted Flavor Evaporation Technique

Published on: May 26, 2023

4.3K

Jaime Rodríguez-Guerra Pedregal1,2, Ignacio Funes-Ardoiz2, Giuseppe Sciortino1

  • 1Departament de Química, Universitat Autònoma de Barcelona, 08193, Bellaterra, Catalonia, Spain.

Journal of Computational Chemistry
|November 22, 2018
PubMed

Keywords:
DFTQM/MM methodsforce fieldsorganometallic chemistrypeptides

More Related Videos

Extra Cellular Matrix-Based and Extra Cellular Matrix-Free Generation of Murine Testicular Organoids09:18

Extra Cellular Matrix-Based and Extra Cellular Matrix-Free Generation of Murine Testicular Organoids

Published on: October 7, 2020

7.3K
An Operant Intra-/Extra-dimensional Set-shift Task for Mice08:35

An Operant Intra-/Extra-dimensional Set-shift Task for Mice

Published on: January 22, 2016

12.7K

Related Concept Videos

Gustation01:43

Gustation

Gustation is a chemical sense that, along with olfaction (smell), contributes to our perception of taste. It starts with the activation of receptors by chemical compounds (tastants) dissolved in the saliva. The saliva and filiform papillae on the tongue distribute the tastants and increase their exposure to the taste receptors.
52.3K
Potential Energy00:52

Potential Energy

The energy stored by a structure and location of matter in space is called potential energy. For instance, raising a kettlebell changes its spatial location and increases its potential energy. Similarly, a stretched rubber band contains potential energy which, under certain conditions, can be converted into other forms of energy, such as kinetic energy.
Chemical bonds that form attractive forces between atoms also contain potential energy, called chemical energy. When a chemical reaction...
42.7K
Le Chatelier's Principle: Changing Temperature02:19

Le Chatelier's Principle: Changing Temperature

Consistent with the law of mass action, an equilibrium stressed by a change in concentration will shift to re-establish equilibrium without any change in the value of the equilibrium constant, K. When an equilibrium shifts in response to a temperature change, however, it is re-established with a different relative composition that exhibits a different value for the equilibrium constant.
To understand this phenomenon, consider the elementary reaction:
35.4K
Empathy02:34

Empathy

Some researchers suggest that altruism operates on empathy. Empathy is the capacity to understand another person’s perspective, to feel what he or she feels. An empathetic person makes an emotional connection with others and feels compelled to help (Batson, 1991). Empathy can be expressed in several ways, including cognitive, affective, and motor. 
10.1K
Nondisjunction01:29

Nondisjunction

During meiosis, chromosomes occasionally separate improperly. This occurs due to failure of homologous chromosome separation during meiosis I or failed sister chromatid separation during meiosis II. In some species, notably plants, nondisjunction can result in an organism with an entire additional set of chromosomes, which is called polyploidy. In humans, nondisjunction can occur during male or female gametogenesis and the resulting gametes possess one too many or one too few chromosomes.
82.0K
Ion Channels01:19

Ion Channels

The movement of ions like sodium, potassium, and calcium into and out of the cell is essential to maintain the electrochemical gradient in living cells. The ion channels—a class of membrane transport proteins—help maintain this ionic gradient for the smooth functioning of physiological activities such as maintaining cell size and volume, conducting nerve impulses, and gas and nutrient exchange.
Ion channels are specialized integral membrane proteins on the plasma membrane that allow...
91.4K