Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Frédéric Wieber"'
Publikováno v:
Journal of Cheminformatics, Vol 10, Iss 1, Pp 1-3 (2018)
Abstract The Computational Chemistry List is a mailing list, portal, and community which brings together people interested in computational chemistry, mostly practitioners. It was formed in 1991 and continues to exist as a vibrant discussion space, h
Externí odkaz:
https://doaj.org/article/ba0436deec8b4d8aa125815d02ce4b92
Autor:
Frédéric Wieber
Publikováno v:
Philosophia Scientiæ, Vol 12, Iss 2, Pp 93-109 (2008)
Computational methods have been used in the pre-clinical design of therapeutic molecules since the 1970’s as part of a strategy known as “rational drug design”. An analysis of this approach is developed. Two contextualisations of these practice
Externí odkaz:
https://doaj.org/article/34ef0b8403084ccea94295dec19972ad
Autor:
Frédéric Wieber, Alexandre Hocquet
Publikováno v:
European Journal for Philosophy of Science
European Journal for Philosophy of Science, Springer, 2021, 11 (2), ⟨10.1007/s13194-021-00362-9⟩
European Journal for Philosophy of Science, Springer, 2021, 11 (2), ⟨10.1007/s13194-021-00362-9⟩
Computational reproducibility (i.e. issues of reproducibility stemming from the computer as a scientific tool) possesses its own dynamics and narratives of crisis. Alongside the difficulties of computing as an ubiquitous yet complex scientific activi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9bd0edea9af0911324222b48a5a9a891
https://doi.org/10.1007/s13194-021-00362-9
https://doi.org/10.1007/s13194-021-00362-9
Autor:
Alexandre Hocquet, Frédéric Wieber
Publikováno v:
Perspectives on Science
Perspectives on Science, Massachusetts Institute of Technology Press (MIT Press), 2020, 28 (5), pp.610-629. ⟨10.1162/posc_a_00352⟩
Perspectives on Science, Massachusetts Institute of Technology Press (MIT Press), 2020, 28 (5), pp.610-629. ⟨10.1162/posc_a_00352⟩
International audience; Computational chemistry grew in a new era of “desktop modeling,” which coincided with a growing demand for modeling software, especially from the pharmaceutical industry. Parameterization of models in computational chemist
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f6933e29f5dd661d54a1aef78c60d809
https://halshs.archives-ouvertes.fr/halshs-03136375
https://halshs.archives-ouvertes.fr/halshs-03136375
Autor:
Frédéric Wieber, Alexandre Hocquet
Publikováno v:
Philosophie de la chimie
Philosophie de la chimie, 2020
HAL
Philosophie de la chimie, 2020
HAL
International audience; La chimie computationnelle est un domaine de la chimie qui développe des outils et méthodes informatiques pour appréhender, de manière théorique, les objets chimiques : molécules, macromolécules, solides, etc. L'adjecti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::c799f52bb99eb7d44560fc3502b9f4c1
https://hal.archives-ouvertes.fr/hal-02490889/file/Wieber&Hocquet-2020-DeBoeck.pdf
https://hal.archives-ouvertes.fr/hal-02490889/file/Wieber&Hocquet-2020-DeBoeck.pdf
Autor:
Frédéric Wieber, Alexandre Hocquet
Publikováno v:
Internet histories
Internet histories, Taylor & Francis, 2018, 2 (1-2), pp.38-54. ⟨10.1080/24701475.2018.1456741⟩
Internet histories, Taylor & Francis, 2018, 2 (1-2), pp.38-54. ⟨10.1080/24701475.2018.1456741⟩
International audience; This paper aims to show the potential of mailing list archives as primary sources for studying recent history of science. In order to focus on the debates regarding software within the computational chemistry community in the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ac05455a2c5be4b4b88a5c9432bbd8f4
https://doi.org/10.1080/24701475.2018.1456741
https://doi.org/10.1080/24701475.2018.1456741
Autor:
Alexandre Hocquet, Frédéric Wieber
Publikováno v:
Le Mouvement social
Le Mouvement social, Les Editions de l'Atelier/Editions ouvrières, 2018
Le Mouvement social, Presses de Sciences Po (Anciennenment : Éditions de l'Atelier, Éditions ouvrières, La Découverte), 2018
HAL
Le Mouvement social, Les Editions de l'Atelier/Editions ouvrières, 2018
Le Mouvement social, Presses de Sciences Po (Anciennenment : Éditions de l'Atelier, Éditions ouvrières, La Découverte), 2018
HAL
International audience
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::21a6b50b2ad12a01bb7486d0c26c3e1c
https://hal.archives-ouvertes.fr/hal-01965317
https://hal.archives-ouvertes.fr/hal-01965317
Autor:
Frédéric Wieber, Alexandre Hocquet
Publikováno v:
HAL
Computational chemistry grew in a new era of "desktop modeling", which coincided with a growing demand for modeling software, especially from the pharmaceutical industry. Parameterization of models in computational chemistry is an arduous enterprise,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=arXiv_dedup_::0826f2290087ef1c4a18d2e209dfac34
https://halshs.archives-ouvertes.fr/halshs-01959312
https://halshs.archives-ouvertes.fr/halshs-01959312
Autor:
Frédéric Wieber, Alexandre Hocquet
Publikováno v:
IEEE Annals of the History of Computing
IEEE Annals of the History of Computing, Institute of Electrical and Electronics Engineers, 2017, 39 (4), pp.40-58. ⟨10.1109/MAHC.2018.1221048⟩
IEEE Annals of the History of Computing, Institute of Electrical and Electronics Engineers, 2017, 39 (4), pp.40-58. ⟨10.1109/MAHC.2018.1221048⟩
International audience; Computational chemistry is a scientific field within which the computer is a pivotal element. This scientific community emerged in the 1980s and was involved with two major industries: the computer manufacturers and the pharma
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e85cc4a33145496e3298c1895a6e2c5c
https://halshs.archives-ouvertes.fr/halshs-01916969/document
https://halshs.archives-ouvertes.fr/halshs-01916969/document