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For at least six hundred million years, life has been a fascinating laboratory of crystallization, referred to as biomineralization. During this huge lapse of time, many organisms from diverse phyla have developed the capability to precipitate various types of minerals, exploring distinctive pathways for building sophisticated structural architectures for different purposes. The Darwinian exploration was performed by trial and error, but the success in terms of complexity and efficiency is evident. Understanding the strategies that those organisms employ for regulating the nucleation, growth, and assembly of nanocrystals to build these sophisticated devices is an intellectual challenge and a source of inspiration in fields as diverse as materials science, nanotechnology, and biomedicine. However, "Biological Crystallization" is a broader topic that includes biomineralization, but also the laboratory crystallization of biological compounds such as macromolecules, carbohydrates, or lipids, and the synthesis and fabrication of biomimetic materials by different routes. This Special Issue collects 15 contributions ranging from biological and biomimetic crystallization of calcium carbonate, calcium phosphate, and silica-carbonate self-assembled materials to the crystallization of biological macromolecules. Special attention has been paid to the fundamental phenomena of crystallization (nucleation and growth), and the applications of the crystals in biomedicine, environment, and materials science.

chitosan --- Csep1p --- bond selection during protein crystallization --- bioremediation --- education --- reductants --- heavy metals --- biomimetic crystallization --- MTT assay --- protein crystallization --- drug discovery --- optimization --- polymyxin resistance --- lysozyme --- ependymin-related protein (EPDR) --- equilibration between crystal bond and destructive energies --- barium carbonate --- dyes --- microseed matrix screening --- nanoapatites --- colistin resistance --- Haloalkane dehalogenase --- diffusion --- polyacrylic acid --- random microseeding --- protein ‘affinity’ to water --- insulin --- protein crystal nucleation --- agarose --- lithium ions --- ependymin (EPN) --- {00.1} calcite --- seeding --- Campylobacter consisus --- metallothioneins --- Crohn’s disease --- balance between crystal bond energy and destructive surface energies --- color change --- microbially induced calcite precipitation (MICP) --- crystallization of macromolecules --- crystallization --- calcein --- MCR-1 --- Cry protein crystals --- L-tryptophan --- circular dichroism --- crystal violet --- nanocomposites --- halide-binding site --- calcium carbonate --- PCDA --- ultrasonic irradiation --- adsorption --- biochemical aspects of the protein crystal nucleation --- GTL-16 cells --- proteinase k --- neutron protein crystallography --- classical and two-step crystal nucleation mechanisms --- thermodynamic and energetic approach --- heavy metal contamination --- N-acetyl-D-glucosamine --- crystallization in solution flow --- solubility --- biomorphs --- droplet array --- biomimetic materials --- ferritin --- biomineralization --- wastewater treatment --- H3O+ --- silica --- graphene --- supersaturation dependence of the crystal nucleus size --- pyrrole --- micro-crystals --- nucleation --- crystallography --- mammalian ependymin-related protein (MERP) --- high-throughput --- vaterite transformation --- gradients --- materials science --- bioprecipitation --- biomedicine --- human carbonic anhydrase IX --- protein crystal nucleation in pores --- growth --- crystal growth

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This book is a collection of original research articles in the field of computer-aided drug design. It reports the use of current and validated computational approaches applied to drug discovery as well as the development of new computational tools to identify new and more potent drugs.

3D-QSAR --- pharmacophore modeling --- ligand-based model --- HDACs --- isoform-selective histone deacetylase inhibitors --- aminophenylbenzamide --- hERG toxicity --- drug discovery --- fingerprints --- machine learning --- deep learning --- gene expression signature --- drug repositioning approaches --- RNA expression regulation --- high-throughput virtual screening --- dual-target lead discovery --- neurodegenerative disorders --- Alzheimer’s disease --- dual mode of action --- multi-modal --- nicotinic acetylcholine receptor --- acetylcholinesterase --- molecular docking --- methotrexate --- drug resistance --- human dihydrofolate reductase --- virtual screening --- molecular dynamics simulation. --- epitope binning --- epitope mapping --- epitope prediction --- antibody:antigen interactions --- protein docking --- glycoprotein D (gD) --- herpes simplex virus fusion proteins --- Src inhibitors --- pharmacophore model --- molecular dynamics simulations --- in silico --- COX-2 inhibitors --- molecular modeling --- sodium–glucose co-transporters 2 --- FimH --- uropathogenic bacteria --- urinary tract infections --- diabetes --- drug-resistance mutations --- HIV-2 protease --- structural characterization --- induced structural deformations --- SARS-CoV-2 --- COVID-19 --- multiprotein inhibiting natural compounds --- MD simulation --- 3CL-Pro --- antivirals --- docking simulations --- drug repurposing --- consensus models --- binding space --- isomeric space --- MRP4 --- SNPs --- variants --- protein threading modeling --- molecular dynamics --- binding site --- hTSPO --- PK11195 --- cholesterol --- homology modeling --- molecular dynamics (MD) simulation --- carbon nanotubes --- Stone–Wales defects --- haeckelite defects --- doxorubicin encapsulation --- drug delivery system --- binding free energies --- noncovalent interactions --- main protease --- mutants --- inhibitors --- PF-00835231 --- Mycobacterium tuberculosis --- tuberculosis --- proteasome --- natural compounds --- multiscale --- multitargeting --- polypharmacology --- computational biology --- drug repositioning --- structural bioinformatics --- proteomic signature --- skin aging --- oxidative stress --- aging progression mechanism --- genome-wide genetic and epigenetic network (GWGEN) --- systems medicine design --- multiple-molecule drug --- immunoproteasome --- non-covalent inhibitors --- MD binding --- metadynamics --- induced-fit docking --- n/a --- Alzheimer's disease --- sodium-glucose co-transporters 2 --- Stone-Wales defects