1.

Record Nr.

UNINA9910313559703321

Titolo

Index botanicus sistens omnes fungorum species in D.C.H. Persoonii synopsi methodica fungorum enumeratas vna cum varietatibus et synonymis, confectus a D.G.H.L.

Pubbl/distr/stampa

Gottingae, : apud Henricum Dieterich, 1808

Descrizione fisica

[18] c., [30] c. di tav. rip. : ill. ; 8°

Locazione

DBV

Collocazione

A VII 462 (3

F VIII 50 (3

Lingua di pubblicazione

Latino

Formato

Materiale a stampa

Livello bibliografico

Monografia

2.

Record Nr.

UNINA9911019151003321

Titolo

Virtual screening : principles, challenges, and practical guidelines / / edited by Christoph Sotriffer

Pubbl/distr/stampa

Weinheim, : Wiley-VCH, 2011

ISBN

1-283-14059-4

9786613140593

3-527-63332-4

3-527-63333-2

3-527-32636-7

Descrizione fisica

1 online resource (551 p.)

Collana

Methods and principles in medicinal chemistry ; ; v. 48

Altri autori (Persone)

SotrifferChristoph

Disciplina

615.1900113

Soggetti

High throughput screening (Drug development) - Computer simulation

Lingua di pubblicazione

Inglese

Formato

Materiale a stampa

Livello bibliografico

Monografia

Note generali

Description based upon print version of record.

Nota di bibliografia

Includes bibliographical references and index.

Nota di contenuto

pt. 1. Principles -- pt. 2. Challenges -- pt. 3. Applications and practical



guidelines -- pt. 4. Scenarios and case studies : routes to success.

Sommario/riassunto

Drug discovery is all about finding small molecules that interact in a desired way with larger molecules, namely proteins and other macromolecules in the human body. If the three-dimensional structures of both the small and large molecule are known, their interaction can be tested by computer simulation with a reasonable degree of accuracy. Alternatively, if active ligands are already available, molecular similarity searches can be used to find new molecules. This virtual screening can even be applied to compounds that have yet to be synthesized, as opposed to ""real"" screening that requires