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In silico biology, ISSN 1386-6338, 1998
Journal
2016, Biomedical science, ISBN 9781482217834, xv, 526
In Silico Drug Discovery and Design: Theory, Methods, Challenges, and Applications provides a comprehensive, unified, and in-depth overview of the current... 
chemistry | Models, Molecular | Small Molecule Libraries | Drug Discovery | methods | Drug development | Medicine: General Issues | Pharmacology | Biopharmaceutics | Small Molecule Libraries - chemistry
Book
SAE technical paper series, Volume 2011-38-0001.
In-flight icing occurs when supercooled water droplets suspended in the atmosphere impinge on cold aircraft surfaces. Thin layers of accreted ice significantly... 
Computer simulation | Drag | Icing and ice detection | Aircraft
eJournal
Journal of the American Chemical Society, ISSN 0002-7863, 06/2018, Volume 140, Issue 22, pp. 6745 - 6748
The oxygen evolution reaction (OER) is critical to efficient water splitting to produce the H2 fuel for sustainable energy production. Currently, the best... 
CONVERSION | CO2 | PHOTOSYSTEM-II | SURFACE | SITES | IRON | EFFICIENT | CHEMISTRY, MULTIDISCIPLINARY | ELECTROCATALYSTS | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Journal Article
by Myatt, Glenn J and Ahlberg, Ernst and Akahori, Yumi and Allen, David and Amberg, Alexander and Anger, Lennart T and Aptula, Aynur and Auerbach, Scott and Beilke, Lisa and Bellion, Phillip and Benigni, Romualdo and Bercu, Joel and Booth, Ewan D and Bower, Dave and Brigo, Alessandro and Burden, Natalie and Cammerer, Zoryana and Cronin, Mark T.D and Cross, Kevin P and Custer, Laura and Dettwiler, Magdalena and Dobo, Krista and Ford, Kevin A and Fortin, Marie C and Gad-McDonald, Samantha E and Gellatly, Nichola and Gervais, Véronique and Glover, Kyle P and Glowienke, Susanne and Van Gompel, Jacky and Gutsell, Steve and Hardy, Barry and Harvey, James S and Hillegass, Jedd and Honma, Masamitsu and Hsieh, Jui-Hua and Hsu, Chia-Wen and Hughes, Kathy and Johnson, Candice and Jolly, Robert and Jones, David and Kemper, Ray and Kenyon, Michelle O and Kim, Marlene T and Kruhlak, Naomi L and Kulkarni, Sunil A and Kümmerer, Klaus and Leavitt, Penny and Majer, Bernhard and Masten, Scott and Miller, Scott and Moser, Janet and Mumtaz, Moiz and Muster, Wolfgang and Neilson, Louise and Oprea, Tudor I and Patlewicz, Grace and Paulino, Alexandre and Lo Piparo, Elena and Powley, Mark and Quigley, Donald P and Reddy, M. Vijayaraj and Richarz, Andrea-Nicole and Ruiz, Patricia and Schilter, Benoit and Serafimova, Rositsa and Simpson, Wendy and Stavitskaya, Lidiya and Stidl, Reinhard and Suarez-Rodriguez, Diana and Szabo, David T and Teasdale, Andrew and Trejo-Martin, Alejandra and Valentin, Jean-Pierre and Vuorinen, Anna and Wall, Brian A and Watts, Pete and White, Angela T and Wichard, Joerg and Witt, Kristine L and Woolley, Adam and Woolley, David and Zwickl, Craig and Hasselgren, Catrin
Regulatory Toxicology and Pharmacology, ISSN 0273-2300, 07/2018, Volume 96, pp. 1 - 17
Journal Article
2013, RSC theoretical and computational chemistry series, ISBN 1849736081, Volume no. 5., xiii, 278
Computational Quantum Chemistry presents computational electronic structure theory as practiced in terms of ab initio waveform methods and density functional... 
Chromatographic analysis | Quantum chemistry | Molecular structure | Computer simulation | Science | General | Chemistry | Molecular structure - Computer simulation
Book
2014, ISBN 9781466517875, xiii, 292 p., 8 unnumbered p.s of plates
Book
Drug Discovery Today, ISSN 1359-6446, 02/2013, Volume 18, Issue 3-4, pp. 110 - 115
► A three-step in silico drug repositioning was proposed, including repurposing with a purpose, repurposing with a strategy, and repurposing with confidence. ►... 
PHARMACOLOGY & PHARMACY | NETWORKS | THERAPY | THALIDOMIDE | DISCOVERY | PREDICTION | Drug Repositioning | Drug Discovery | Computer Simulation | Computational Biology | Data mining | Analysis | Genomics | Index Medicus
Journal Article
2014, RSC chromatography monographs, ISBN 9781849739917, Volume no. 19, xiv, 338
Presenting the possibilities for characterising biological applications by combining analytical and computational chemistries, this authored book will be a... 
Data processing | Liquid chromatography | Chromatographic analysis
Book
Journal Article
Nature Communications, ISSN 2041-1723, 02/2016, Volume 7, Issue 1, p. 10331
The increasing cost of drug development together with a significant drop in the number of new drug approvals raises the need for innovative approaches for... 
PROTEIN | DATABASE | SERVER | MULTIDISCIPLINARY SCIENCES | DISEASE | COMPREHENSIVE RESOURCE | IDENTIFICATION | MAP | GENOME-WIDE ASSOCIATION
Journal Article