31 resultados para Exemplary lesson
Filtro por publicador
- KUPS-Datenbank - Universität zu Köln - Kölner UniversitätsPublikationsServer (1)
- Academic Archive On-line (Stockholm University; Sweden) (1)
- Acceda, el repositorio institucional de la Universidad de Las Palmas de Gran Canaria. España (3)
- Adam Mickiewicz University Repository (4)
- AMS Tesi di Dottorato - Alm@DL - Università di Bologna (7)
- Applied Math and Science Education Repository - Washington - USA (2)
- Aquatic Commons (3)
- ArchiMeD - Elektronische Publikationen der Universität Mainz - Alemanha (7)
- Archive of European Integration (5)
- Archivo Digital para la Docencia y la Investigación - Repositorio Institucional de la Universidad del País Vasco (5)
- Aston University Research Archive (19)
- Biblioteca de Teses e Dissertações da USP (5)
- Biblioteca Digital | Sistema Integrado de Documentación | UNCuyo - UNCUYO. UNIVERSIDAD NACIONAL DE CUYO. (1)
- Biblioteca Digital de la Universidad Católica Argentina (5)
- Biblioteca Digital de Teses e Dissertações Eletrônicas da UERJ (10)
- Biodiversity Heritage Library, United States (1)
- Blue Tiger Commons - Lincoln University - USA (1)
- BORIS: Bern Open Repository and Information System - Berna - Suiça (31)
- Boston University Digital Common (1)
- Brock University, Canada (19)
- Bucknell University Digital Commons - Pensilvania - USA (3)
- Bulgarian Digital Mathematics Library at IMI-BAS (5)
- Cambridge University Engineering Department Publications Database (1)
- CentAUR: Central Archive University of Reading - UK (22)
- Chinese Academy of Sciences Institutional Repositories Grid Portal (2)
- Cochin University of Science & Technology (CUSAT), India (1)
- Comissão Econômica para a América Latina e o Caribe (CEPAL) (4)
- CORA - Cork Open Research Archive - University College Cork - Ireland (3)
- Corvinus Research Archive - The institutional repository for the Corvinus University of Budapest (5)
- CUNY Academic Works (4)
- Dalarna University College Electronic Archive (9)
- Deakin Research Online - Australia (98)
- Digital Archives@Colby (3)
- Digital Commons - Michigan Tech (4)
- Digital Commons @ DU | University of Denver Research (2)
- Digital Commons at Florida International University (20)
- Digital Peer Publishing (6)
- DigitalCommons@The Texas Medical Center (3)
- DigitalCommons@University of Nebraska - Lincoln (9)
- Digitale Sammlungen - Goethe-Universität Frankfurt am Main (1)
- DRUM (Digital Repository at the University of Maryland) (4)
- Duke University (5)
- Ecology and Society (1)
- eResearch Archive - Queensland Department of Agriculture; Fisheries and Forestry (3)
- Escola Superior de Educação de Paula Frassinetti (1)
- Fachlicher Dokumentenserver Paedagogik/Erziehungswissenschaften (6)
- Greenwich Academic Literature Archive - UK (3)
- Harvard University (1)
- Helda - Digital Repository of University of Helsinki (8)
- Indian Institute of Science - Bangalore - Índia (2)
- Instituto Politécnico de Castelo Branco - Portugal (1)
- Instituto Politécnico de Santarém (2)
- Instituto Politécnico do Porto, Portugal (6)
- Massachusetts Institute of Technology (2)
- Memoria Académica - FaHCE, UNLP - Argentina (28)
- Ministerio de Cultura, Spain (17)
- National Center for Biotechnology Information - NCBI (2)
- Open University Netherlands (2)
- Portal de Revistas Científicas Complutenses - Espanha (2)
- Publishing Network for Geoscientific & Environmental Data (4)
- QUB Research Portal - Research Directory and Institutional Repository for Queen's University Belfast (33)
- Queensland University of Technology - ePrints Archive (118)
- Repositorio Académico de la Universidad Nacional de Costa Rica (1)
- Repositório Científico da Universidade de Évora - Portugal (1)
- Repositório Científico do Instituto Politécnico de Lisboa - Portugal (11)
- Repositório Científico do Instituto Politécnico de Santarém - Portugal (1)
- Repositorio de la Universidad de Cuenca (1)
- Repositório digital da Fundação Getúlio Vargas - FGV (8)
- REPOSITORIO DIGITAL IMARPE - INSTITUTO DEL MAR DEL PERÚ, Peru (1)
- Repositório Institucional da Universidade de Aveiro - Portugal (7)
- Repositório Institucional da Universidade Estadual de São Paulo - UNESP (1)
- Repositório Institucional da Universidade Tecnológica Federal do Paraná (RIUT) (1)
- Repositorio Institucional de la Universidad de La Laguna (2)
- Repositório Institucional UNESP - Universidade Estadual Paulista "Julio de Mesquita Filho" (68)
- Research Open Access Repository of the University of East London. (1)
- SAPIENTIA - Universidade do Algarve - Portugal (1)
- School of Medicine, Washington University, United States (2)
- SerWisS - Server für Wissenschaftliche Schriften der Fachhochschule Hannover (2)
- Universidad Autónoma de Nuevo León, Mexico (1)
- Universidad de Alicante (18)
- Universidad del Rosario, Colombia (9)
- Universidad Politécnica de Madrid (20)
- Universidade de Lisboa - Repositório Aberto (8)
- Universidade Federal de Uberlândia (1)
- Universidade Federal do Pará (8)
- Universidade Federal do Rio Grande do Norte (UFRN) (19)
- Universidade Metodista de São Paulo (11)
- Universitätsbibliothek Kassel, Universität Kassel, Germany (6)
- Université de Montréal, Canada (24)
- University of Canberra Research Repository - Australia (1)
- University of Connecticut - USA (2)
- University of Michigan (132)
- University of Queensland eSpace - Australia (6)
- University of Southampton, United Kingdom (11)
- University of Washington (4)
- WestminsterResearch - UK (6)
- Worcester Research and Publications - Worcester Research and Publications - UK (1)
Resumo:
One of the simplest questions that can be asked about molecular diversity is how many organic molecules are possible in total? To answer this question, my research group has computationally enumerated all possible organic molecules up to a certain size to gain an unbiased insight into the entire chemical space. Our latest database, GDB-17, contains 166.4 billion molecules of up to 17 atoms of C, N, O, S, and halogens, by far the largest small molecule database reported to date. Molecules allowed by valency rules but unstable or nonsynthesizable due to strained topologies or reactive functional groups were not considered, which reduced the enumeration by at least 10 orders of magnitude and was essential to arrive at a manageable database size. Despite these restrictions, GDB-17 is highly relevant with respect to known molecules. Beyond enumeration, understanding and exploiting GDBs (generated databases) led us to develop methods for virtual screening and visualization of very large databases in the form of a “periodic system of molecules” comprising six different fingerprint spaces, with web-browsers for nearest neighbor searches, and the MQN- and SMIfp-Mapplet application for exploring color-coded principal component maps of GDB and other large databases. Proof-of-concept applications of GDB for drug discovery were realized by combining virtual screening with chemical synthesis and activity testing for neurotransmitter receptor and transporter ligands. One surprising lesson from using GDB for drug analog searches is the incredible depth of chemical space, that is, the fact that millions of very close analogs of any molecule can be readily identified by nearest-neighbor searches in the MQN-space of the various GDBs. The chemical space project has opened an unprecedented door on chemical diversity. Ongoing and yet unmet challenges concern enumerating molecules beyond 17 atoms and synthesizing GDB molecules with innovative scaffolds and pharmacophores.