161
TITLE: Prediction of Solvation Free Energies with Thermodynamic Integration Using the General Amber Force Field  Full Text
AUTHORS: Silvia A Martins; Sérgio F. Sousa ; Maria Joao Ramos ; Pedro A Fernandes ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 10, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 31
IN MY: ORCID
162
TITLE: Predictive QSAR models development and validation for human ether-a-go-go related gene (hERG) blockers using newer tools  Full Text
AUTHORS: Hari Narayana Moorthy, NSHN; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2014, SOURCE: JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, VOLUME: 29, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 10
IN MY: ORCID
163
TITLE: Protein ligand docking in drug discovery
AUTHORS: Bras, NF ; Cerqueira, NMFSA ; Sérgio F. Sousa ; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2014, SOURCE: Protein Modelling, VOLUME: 9783319099767
INDEXED IN: Scopus CrossRef
IN MY: ORCID
164
TITLE: QM/MM Study and MD Simulations on the Hypertension Regulator Angiotensin-Converting Enzyme
AUTHORS: Natercia F Bras ; Pedro A Fernandes ; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: ACS CATALYSIS, VOLUME: 4, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 21
IN MY: ORCID
165
167
TITLE: Structural and dynamics analysis of matrix metalloproteinases MMP-2 complexed with chemically modified tetracyclines (CMTs)
AUTHORS: Marcial, BL; Sérgio F. Sousa ; Dos Santos, HF; Ramos, MJ ;
PUBLISHED: 2014, SOURCE: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, VOLUME: 32, ISSUE: 12
INDEXED IN: Scopus WOS CrossRef: 6
IN MY: ORCID
169
TITLE: The Catalytic Mechanism of Carboxylesterases: A Computational Study  Full Text
AUTHORS: Aranda, J; Cerqueira, NMFSA ; Fernandes, PA ; Roca, M; Tunon, I; Ramos, MJ ;
PUBLISHED: 2014, SOURCE: BIOCHEMISTRY, VOLUME: 53, ISSUE: 36
INDEXED IN: Scopus WOS CrossRef: 53
IN MY: ORCID
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