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Sérgio Filipe Maia de Sousa
AuthID:
R-000-NGA
Publications
Confirmed
To Validate
Document Source:
All
Document Type:
All Document Types
Article (99)
Review (23)
Article in Press (12)
Proceedings Paper (9)
Editorial Material (5)
Book Chapter (4)
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Order:
Year Dsc
Year Asc
Cit. WOS Dsc
IF WOS Dsc
Cit. Scopus Dsc
IF Scopus Dsc
Title Asc
Title Dsc
Results:
10
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Confirmed Publications: 152
111
TITLE:
Parameters for Molecular Dynamics Simulations of Manganese-Containing Metalloproteins
Full Text
AUTHORS:
Neves, Rui P. P.
;
Sérgio F. Sousa
;
Pedro A Fernandes
;
Maria J Ramos
;
PUBLISHED:
2013
,
SOURCE:
JOURNAL OF CHEMICAL THEORY AND COMPUTATION,
VOLUME:
9,
ISSUE:
6
INDEXED IN:
Scopus
WOS
CrossRef
:
31
IN MY:
ORCID
|
CIÊNCIAVITAE
112
TITLE:
Protein-Ligand Docking in the New Millennium - A Retrospective of 10 Years in the Field
AUTHORS:
Sérgio F. Sousa
;
Ribeiro, AJM
;
Coimbra, JTS
;
Neves, Rui P. P.
;
Martins, SA
;
Moorthy, NSHN
;
Fernandes, PA
;
Ramos, MJ
;
PUBLISHED:
2013
,
SOURCE:
CURRENT MEDICINAL CHEMISTRY,
VOLUME:
20,
ISSUE:
18
INDEXED IN:
Scopus
WOS
CrossRef
:
177
IN MY:
ORCID
|
CIÊNCIAVITAE
113
TITLE:
Chemically Modified Tetracyclines as Inhibitors of MMP-2 Matrix Metalloproteinase: A Molecular and Structural Study
AUTHORS:
Bruna L Marcial;
Sérgio F. Sousa
; Ingrid L Barbosa;
Helio F Dos Santos
;
Maria J Ramos
;
PUBLISHED:
2012
,
SOURCE:
JOURNAL OF PHYSICAL CHEMISTRY B,
VOLUME:
116,
ISSUE:
46
INDEXED IN:
Scopus
WOS
CrossRef
:
32
IN MY:
ORCID
|
CIÊNCIAVITAE
114
TITLE:
Computational enzymatic catalysis - clarifying enzymatic mechanisms with the help of computers
Full Text
AUTHORS:
Sérgio F. Sousa
;
Pedro Alexandrino Fernandes
;
Maria Joao Ramos
;
PUBLISHED:
2012
,
SOURCE:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS,
VOLUME:
14,
ISSUE:
36
INDEXED IN:
Scopus
WOS
CrossRef
:
47
IN MY:
ORCID
|
CIÊNCIAVITAE
115
TITLE:
Decomplexation and complexation of alkali metal cations by a crown-ether-type podand in dichloromethane: a steered molecular dynamics study
Full Text
AUTHORS:
Mario Valente;
Sérgio F. Sousa
;
Magalhaes, AL
;
cristina freire
;
PUBLISHED:
2012
,
SOURCE:
THEORETICAL CHEMISTRY ACCOUNTS,
VOLUME:
131,
ISSUE:
3
INDEXED IN:
Scopus
WOS
CrossRef
:
4
IN MY:
ORCID
|
CIÊNCIAVITAE
116
TITLE:
Dehydration of a polyether type extraction agent and of the corresponding K+ complex: insights into liquid-liquid extraction mechanisms by quantum chemical methods
Full Text
AUTHORS:
Mario Valente;
Sérgio F. Sousa
;
Alexandre L Magalhaes
;
cristina freire
;
PUBLISHED:
2012
,
SOURCE:
JOURNAL OF MOLECULAR MODELING,
VOLUME:
18,
ISSUE:
11
INDEXED IN:
Scopus
WOS
CrossRef
:
1
IN MY:
ORCID
|
CIÊNCIAVITAE
117
TITLE:
In silico Based Structural Analysis of Some Piperidine Analogs as Farnesyltransferase Inhibitors
AUTHORS:
Narayana Subbiah Hari Narayana Moorthy
;
Sérgio F. Sousa
;
Maria J Ramos
;
Pedro A Fernandes
;
PUBLISHED:
2012
,
SOURCE:
MEDICINAL CHEMISTRY,
VOLUME:
8,
ISSUE:
5
INDEXED IN:
Scopus
WOS
CrossRef
:
1
IN MY:
ORCID
|
CIÊNCIAVITAE
118
TITLE:
Transfer of the K+ Cation Across a Water/Dichloromethane Interface: A Steered Molecular Dynamics Study with Implications in Cation Extraction
AUTHORS:
Mario Valente;
Sérgio F. Sousa
;
Magalhaes, AL
;
cristina freire
;
PUBLISHED:
2012
,
SOURCE:
JOURNAL OF PHYSICAL CHEMISTRY B,
VOLUME:
116,
ISSUE:
6
INDEXED IN:
Scopus
WOS
CrossRef
:
9
IN MY:
ORCID
|
CIÊNCIAVITAE
119
TITLE:
Complexation of alkali metal cations by crown-ether type podands with applications in solvent extraction: insights from quantum chemical calculations
Full Text
AUTHORS:
Mario Valente;
Sérgio F. Sousa
;
Alexandre L Magalhaes
;
cristina freire
;
PUBLISHED:
2011
,
SOURCE:
JOURNAL OF MOLECULAR MODELING,
VOLUME:
17,
ISSUE:
12
INDEXED IN:
Scopus
WOS
CrossRef
:
6
IN MY:
ORCID
|
CIÊNCIAVITAE
120
TITLE:
Computational proteomics: from methodological developments to biological applications
AUTHORS:
Irina S Moreira
;
Natercia F Bras
;
Alexandra T P Carvalho
;
Nuno M F A Cerqueira
;
Daniel F Dourado
;
Marta A S Perez
; Antonio J M Ribeiro;
Sérgio F. Sousa
; Pedro A Fernandes; Maria J Ramos;
PUBLISHED:
2011
,
SOURCE:
Quantal aspects in chemistry and physics: a tribute to the memory of Professor Couceiro da Costa
INDEXED IN:
CrossRef
IN MY:
ORCID
|
CIÊNCIAVITAE
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