Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Livro
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Computer software applications in chemistryPeter C JursNew York Wiley c1986Localização: CQ - Conjunto das Químicas (540.02854 J95c ) e outros locais(Acessar) |
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2 |
Material Type: Artigo
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Models for the modern power gridCardieri, Paulo, 1964- Universidade Estadual de Campinas (Unicamp); Universidade Estadual De Campinashttps://repositorio.unicamp.br/acervo/detalhe/11912042014Acesso online |
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3 |
Material Type: Artigo
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Dealing with Risk in Scientific Software DevelopmentSanders, R. ; Kelly, D.IEEE software, 2008-07, Vol.25 (4), p.21-28 [Periódico revisado por pares]Los Alamitos: IEEETexto completo disponível |
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4 |
Material Type: Livro
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Molecular Interaction Fields: Applications in Drug Discovery and ADME PredictionCruciani, Gabriele ; Mannhold, Raimund ; Kubinyi, Hugo ; Folkers, GerdNewark: John Wiley & Sons, Incorporated 2005Texto completo disponível |
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5 |
Material Type: Artigo
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Impact of Historical Software Metric Changes in Predicting Future Maintainability Trends in Open-Source Software DevelopmentGradisnik, Mitja ; Beranic, Tina ; Karakatic, SasoApplied sciences, 2020-07, Vol.10 (13), p.4624 [Periódico revisado por pares]Basel: MDPI AGTexto completo disponível |
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6 |
Material Type: Artigo
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Better together: Elements of successful scientific software development in a distributed collaborative communityKoehler Leman, Julia ; Weitzner, Brian D ; Renfrew, P Douglas ; Lewis, Steven M ; Moretti, Rocco ; Watkins, Andrew M ; Mulligan, Vikram Khipple ; Lyskov, Sergey ; Adolf-Bryfogle, Jared ; Labonte, Jason W ; Krys, Justyna ; Bystroff, Christopher ; Schief, William ; Gront, Dominik ; Schueler-Furman, Ora ; Baker, David ; Bradley, Philip ; Dunbrack, Roland ; Kortemme, Tanja ; Leaver-Fay, Andrew ; Strauss, Charlie E M ; Meiler, Jens ; Kuhlman, Brian ; Gray, Jeffrey J ; Bonneau, Richard Schneidman-Duhovny, DinaPLoS computational biology, 2020-05, Vol.16 (5), p.e1007507-e1007507 [Periódico revisado por pares]United States: Public Library of ScienceTexto completo disponível |
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7 |
Material Type: Artigo
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The need for scientific software engineering in the pharmaceutical industryLuty, Brock ; Rose, Peter W.Journal of computer-aided molecular design, 2017-03, Vol.31 (3), p.301-304 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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8 |
Material Type: Artigo
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Tinker 8: Software Tools for Molecular DesignRackers, Joshua A ; Wang, Zhi ; Lu, Chao ; Laury, Marie L ; Lagardère, Louis ; Schnieders, Michael J ; Piquemal, Jean-Philip ; Ren, Pengyu ; Ponder, Jay WJournal of chemical theory and computation, 2018-10, Vol.14 (10), p.5273-5289 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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9 |
Material Type: Artigo
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mMass as a Software Tool for the Annotation of Cyclic Peptide Tandem Mass SpectraNiedermeyer, Timo H. J ; Strohalm, Martin Koomen, John MatthewPloS one, 2012-09, Vol.7 (9), p.e44913-e44913 [Periódico revisado por pares]San Francisco: Public Library of ScienceTexto completo disponível |
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10 |
Material Type: Artigo
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TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulationsBalasubramani, Sree Ganesh ; Chen, Guo P. ; Coriani, Sonia ; Diedenhofen, Michael ; Frank, Marius S. ; Franzke, Yannick J. ; Furche, Filipp ; Grotjahn, Robin ; Harding, Michael E. ; Hättig, Christof ; Hellweg, Arnim ; Helmich-Paris, Benjamin ; Holzer, Christof ; Huniar, Uwe ; Kaupp, Martin ; Marefat Khah, Alireza ; Karbalaei Khani, Sarah ; Müller, Thomas ; Mack, Fabian ; Nguyen, Brian D. ; Parker, Shane M. ; Perlt, Eva ; Rappoport, Dmitrij ; Reiter, Kevin ; Roy, Saswata ; Rückert, Matthias ; Schmitz, Gunnar ; Sierka, Marek ; Tapavicza, Enrico ; Tew, David P. ; van Wüllen, Christoph ; Voora, Vamsee K. ; Weigend, Florian ; Wodyński, Artur ; Yu, Jason M.The Journal of chemical physics, 2020-05, Vol.152 (18), p.184107-184107 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |