Journal of Computer-Aided Molecular Design

Publisher： Springer Publishing Company

Founded in： 1987

Total resources： 57

E-ISSN： 1573-4951

ISSN： 0920-654X

Subject： O64 (physical chemistry) and theoretical chemistry, chemical physics

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Journal of Computer-Aided Molecular Design

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Prospective virtual screening for novel p53–MDM2 inhibitors using ultrafast shape recognition

By Patil Sachin,Ballester Pedro,Kerezsi Cassidy in (2014)

Journal of Computer-Aided Molecular Design , Vol. 28, Iss. 2, 2014-02 , pp. 89-97

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Reinforcing the membrane-mediated mechanism of action of the anti-tuberculosis candidate drug thioridazine with molecular simulations

By Kopec Wojciech,Khandelia Himanshu in (2014)

Journal of Computer-Aided Molecular Design , Vol. 28, Iss. 2, 2014-02 , pp. 123-134

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Computational prediction of kink properties of helices in membrane proteins

By Mai T.-L.,Chen C.-M. in (2014)

Journal of Computer-Aided Molecular Design , Vol. 28, Iss. 2, 2014-02 , pp. 99-109

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Impact of distance-based metric learning on classification and visualization model performance and structure–activity landscapes

By Kireeva Natalia,Ovchinnikova Svetlana,Kuznetsov Sergey,Kazennov Andrey,Tsivadze Aslan in (2014)

Journal of Computer-Aided Molecular Design , Vol. 28, Iss. 2, 2014-02 , pp. 61-73

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Computational atomistic blueprinting of novel conducting copolymers using particle swarm optimization

By Thakral Priyanka,Bakhshi A. in (2014)

Journal of Computer-Aided Molecular Design , Vol. 28, Iss. 2, 2014-02 , pp. 111-122

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Structure-guided optimization of small molecule c-Abl activators

By Hong Xuan,Cao Ping,Washio Yoshiaki,Simpson Graham,Campobasso Nino,Yang Jingsong,Borthwick Jennifer,Burton George,Chabanet Julien,Bertrand Sophie,Evans Helen,Young Robert,Qu Junya,Li Hu,Cottom Josh,Ward Paris,Zhang Hong,Ho Thau,Qin Donghui,Christensen Siegfried,Head Martha in (2014)

Journal of Computer-Aided Molecular Design , Vol. 28, Iss. 2, 2014-02 , pp. 75-87

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Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designs

By McGaughey Georgia,Bayly Christopher,Cox Christopher,Schreier John,Breslin Michael,Bogusky Michael,Pitzenberger Steve,Ball Richard,Coleman Paul in (2014)

Journal of Computer-Aided Molecular Design , Vol. 28, Iss. 1, 2014-01 , pp. 5-12

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Incorporating significant amino acid pairs and protein domains to predict RNA splicing-related proteins with functional roles

By Hsu Justin,Huang Kai-Yao,Weng Tzu-Ya,Huang Chien-Hsun,Lee Tzong-Yi in (2014)

Journal of Computer-Aided Molecular Design , Vol. 28, Iss. 1, 2014-01 , pp. 49-60

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Structural evaluation of an alternative Protein A biomimetic ligand for antibody purification

By Barroso Telma,Branco Ricardo,Aguiar-Ricardo Ana,Roque Ana in (2014)

Journal of Computer-Aided Molecular Design , Vol. 28, Iss. 1, 2014-01 , pp. 25-34

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Scaffold mining of kinase hinge binders in crystal structure database

By Xing Li,Rai Brajesh,Lunney Elizabeth in (2014)

Journal of Computer-Aided Molecular Design , Vol. 28, Iss. 1, 2014-01 , pp. 13-23

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