Molden 2.0: quantum chemistry meets proteins (English)
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https://orcid.org/0000-0002-1067-7053
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In:
Journal of Computer-Aided Molecular Design
;
31
, 9
; 789-800
;
2017
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Molden 2.0: quantum chemistry meets proteins
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Contributors:
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Published in:Journal of Computer-Aided Molecular Design ; 31, 9 ; 789-800
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Publisher:
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- New search for: Springer Science + Business Media B.V
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Place of publication:Dordrecht [u.a.]
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Publication date:2017
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Table of contents – Volume 31, Issue 9
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 779
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Exploring sets of molecules from patents and relationships to other active compounds in chemical space networksKunimoto, Ryo / Bajorath, Jürgen et al. | 2017
- 789
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Molden 2.0: quantum chemistry meets proteinsSchaftenaar, Gijs / Vlieg, Elias / Vriend, Gert et al. | 2017
- 801
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Development of a pharmacophore for cruzain using oxadiazoles as virtual molecular probes: quantitative structure–activity relationship studiesde Souza, Anacleto S. / de Oliveira, Marcelo T. / Andricopulo, Adriano D. et al. | 2017
- 817
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Practical computational toolkits for dendrimers and dendrons structure designMartinho, Nuno / Silva, Liana C. / Florindo, Helena F. / Brocchini, Steve / Barata, Teresa / Zloh, Mire et al. | 2017
- 829
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Structure–reactivity modeling using mixture-based representation of chemical reactionsPolishchuk, Pavel / Madzhidov, Timur / Gimadiev, Timur / Bodrov, Andrey / Nugmanov, Ramil / Varnek, Alexandre et al. | 2017
- 841
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Biologically relevant conformational features of linear and cyclic proteolipid protein (PLP) peptide analogues obtained by high-resolution nuclear magnetic resonance and molecular dynamicsKordopati, Golfo G. / Tzoupis, Haralambos / Troganis, Anastassios N. / Tsivgoulis, Gerasimos M. / Golic Grdadolnik, Simona / Simal, Carmen / Tselios, Theodore V. et al. | 2017
- 855
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TMDIM: an improved algorithm for the structure prediction of transmembrane domains of bitopic dimersCao, Han / Ng, Marcus C. K. / Jusoh, Siti Azma / Tai, Hio Kuan / Siu, Shirley W. I. et al. | 2017