131
TITLE: A new scoring function for protein-protein docking that identifies native structures with unprecedented accuracy  Full Text
AUTHORS: Irina S Moreira ; Joao M Martins; Joa T S Coimbra ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2015, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 17, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef: 15
132
TITLE: Dynamics of excited clusters of beta-alanine in the gas phase  Full Text
AUTHORS: Piekarski, DG; Ramos, MJ ; Diaz Tendero, S;
PUBLISHED: 2015, SOURCE: 29th International Conference on Photonic, Electronic, and Atomic Collisions (ICPEAC) in XXIX INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC, AND ATOMIC COLLISIONS (ICPEAC2015), PTS 1-12, VOLUME: 635, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef
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134
TITLE: Establishing the Catalytic Mechanism of Human Pancreatic alpha-Amylase with QM/MM Methods  Full Text
AUTHORS: Gaspar P Pinto; Natercia F Bras ; Marta A S Perez; Pedro A Fernandes ; Nino Russo; Maria J Ramos ; Marirosa Toscano;
PUBLISHED: 2015, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 11, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 35
135
TITLE: Insight into Enzymatic Nitrile Reduction: QM/MM Study of the Catalytic Mechanism of QueF Nitrile Reductase
AUTHORS: Antonio J M Ribeiro ; Lifeng F Yang; Maria J Ramos ; Pedro A Fernandes ; Zhao Xun Liang; Hajime Hirao;
PUBLISHED: 2015, SOURCE: ACS CATALYSIS, VOLUME: 5, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef: 30
136
TITLE: Insights into the structural determinants of substrate specificity and activity in mouse aldehyde oxidases  Full Text
AUTHORS: Cerqueira, NMFSA ; Coelho, C; Bras, NF ; Fernandes, PA ; Garattini, E; Terao, M; Romao, MJ; Ramos, MJ ;
PUBLISHED: 2015, SOURCE: JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, VOLUME: 20, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 21
137
TITLE: Ligand based analysis on HMG-CoA reductase inhibitors  Full Text
AUTHORS: Hari Narayana H N Moorthy; Nuno M F S A Cerqueira ; Maria J Ramos ; Pedro A Fernandes ;
PUBLISHED: 2015, SOURCE: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, VOLUME: 140
INDEXED IN: Scopus WOS CrossRef: 20
138
TITLE: Molecular Dynamics Analysis of FAAH Complexed with Anandamide
AUTHORS: Sérgio F. Sousa ; Coimbra, JTS ; Fernandes, PA ; Marino, T; Ramos, MJ ; Russo, N;
PUBLISHED: 2015, SOURCE: 18th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP) in FRONTIERS IN QUANTUM METHODS AND APPLICATIONS IN CHEMISTRY AND PHYSICS, VOLUME: 29
INDEXED IN: Scopus WOS CrossRef
139
TITLE: New insights in the catalytic mechanism of tyrosine ammonia-lyase given by QM/MM and QM cluster models  Full Text
AUTHORS: Gaspar P Pinto; Antonio J M Ribeiro ; Maria J Ramos ; Pedro A Fernandes ; Marirosa Toscano; Nino Russo;
PUBLISHED: 2015, SOURCE: ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS, VOLUME: 582
INDEXED IN: Scopus WOS CrossRef: 25
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