BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery

Sergio Decherchi1,2, Giovanni Bottegoni3, Andrea Spitaleri2,4

  • 1Computational Sciences, Istituto Italiano di Tecnologia , Via Morego 30, 16163 Genova, Italy.

Related Concept Videos

Drug Discovery: Overview01:26

Drug Discovery: Overview

Drug discovery is a multifaceted process involving extensive screening, testing, and optimization of lead compounds to identify potential new drugs for therapeutic use. It combines several approaches, including screening large numbers of natural products, chemical modification of known active molecules, identification of new drug targets, and rational design based on biological mechanisms and drug-receptor structure. These approaches are carried out in both academic research laboratories and...
12.0K
Half-life of a Reaction02:42

Half-life of a Reaction

The half-life of a reaction (t1/2) is the time required for one-half of a given amount of reactant to be consumed. In each succeeding half-life, half of the remaining concentration of the reactant is consumed. For example, during the decomposition of hydrogen peroxide, during the first half-life (from 0.00 hours to 6.00 hours), the concentration of H2O2 decreases from 1.000 M to 0.500 M. During the second half-life (from 6.00 hours to 12.00 hours), the concentration decreases from 0.500 M to...
39.5K
Psychology as a Science01:13

Psychology as a Science

Psychology, as a scientific discipline, aims to understand the mind and behavior through rigorous and systematic methods. The foundation of psychological research is evidence-based, relying heavily on the scientific method to derive and validate knowledge. This structured approach ensures that findings are reliable, valid, and applicable to broader contexts.
The scientific method in psychology involves six critical steps: making observations, formulating hypotheses, conducting tests, analyzing...
4.0K
Characteristics of Life01:23

Characteristics of Life

Biology is a natural science that studies life and living organisms, including their structure, function, development, interactions, evolution, distribution, and taxonomy. The field's scope is extensive and divided into several specialized disciplines, such as anatomy, physiology, ethology, genetics, and many more. All living things share a few key traits, including cellular organization, heritable genetic material and the ability to adapt/evolve, metabolism to regulate energy needs, the...
263.6K
Anticoagulant Drugs: Low-Molecular-Weight Heparins01:30

Anticoagulant Drugs: Low-Molecular-Weight Heparins

Hemostasis is a crucial process that prevents excessive blood loss from damaged blood vessels. It involves various mechanisms such as vasoconstriction, platelet adhesion and activation, and fibrin formation. The importance of each mechanism depends on the type of vessel injury. In contrast, thrombosis is the abnormal formation of a blood clot within the blood vessels, leading to potential complications if the clot obstructs blood flow. Thrombosis can be caused by increased coagulability of the...
2.0K
The Angiosperm Life Cycle02:39

The Angiosperm Life Cycle

Plants have a life cycle split between two multicellular stages: a haploid stage—with cells containing one set of chromosomes—and a diploid stage—with cells containing two sets of chromosomes. The haploid stage is the gamete-producing gametophyte, and the diploid stage is the spore-producing sporophyte.
73.2K