222
TITLE: How reliable is the ReaxFF Potential for Describing the Structure of Alkanethiols on Gold? A Molecular Dynamics Study  Full Text
AUTHORS: Vasumathi, V; Maria Natalia D S Cordeiro ;
PUBLISHED: 2014, SOURCE: 2nd International Conference on Mathematical Modeling in Physical Sciences (IC-MSQUARE) in 2ND INTERNATIONAL CONFERENCE ON MATHEMATICAL MODELING IN PHYSICAL SCIENCES 2013 (IC-MSQUARE 2013), VOLUME: 490, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 1
223
TITLE: How reliable is the ReaxFF potential for describing the structure of alkanethiols on gold? A molecular dynamics study
AUTHORS: Velachi Vasumathi; José Luis Cagide Fajin ; Maria Natália Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: International Journal of Modeling, Simulation, and Scientific Computing, VOLUME: 5, ISSUE: supp01
INDEXED IN: Scopus CrossRef: 1
IN MY: ORCID
225
TITLE: Molecular Dynamics Simulations of Complex Mixtures Aimed at the Preparation of Naproxen-Imprinted Xerogels  Full Text
AUTHORS: Riccardo Concu ; Martin Perez; Natalia N D S Cordeiro ; Manuel Azenha ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 54, ISSUE: 12
INDEXED IN: Scopus WOS CrossRef: 5
226
TITLE: Molecular dynamics study of mixed alkanethiols covering a gold surface at three different arrangements  Full Text
AUTHORS: Vasumathi, V; Natalia, M ; Cordeiro, DS;
PUBLISHED: 2014, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 600
INDEXED IN: Scopus WOS CrossRef: 13
227
TITLE: Multi-tasking chemoinformatic model for the efficient discovery of potent and safer anti-bladder cancer agents
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2014, SOURCE: Bladder Cancer: Risk Factors, Emerging Treatment Strategies and Challenges
INDEXED IN: Scopus
IN MY: ORCID
228
TITLE: Nosocomial Infections: An Increasing Challenge to Medicinal Chemistry
AUTHORS: Marcus Tullius Scotti; Cordeiro, MNDS ; Alejandro Speck Planche;
PUBLISHED: 2014, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 14, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 1
229
TITLE: Prediction of the Estrogen Receptor Binding Affinity for both hER(alpha) and hER(beta) by QSAR Approaches
AUTHORS: Changliang L Deng; Xuanxuan X Chen; Hongying Y Lu; Xin Yang; Feng Luan; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: LETTERS IN DRUG DESIGN & DISCOVERY, VOLUME: 11, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 4
230
TITLE: Principal component analysis of Mn(salen) catalysts  Full Text
AUTHORS: Filipe Teixeira ; Ricardo A Mosquera; Andre Melo ; cristina freire ; Natalia N D S Cordeiro ;
PUBLISHED: 2014, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 16, ISSUE: 46
INDEXED IN: Scopus WOS CrossRef: 12
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