PubRank

Maria João Ramos

Author PubWeight™ 57.76‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 Protein-ligand docking: current status and future challenges. Proteins 2006 5.92
2 General performance of density functionals. J Phys Chem A 2007 1.72
3 The adaptive evolution of the mammalian mitochondrial genome. BMC Genomics 2008 1.69
4 Multidimensional epistasis and fitness landscapes in enzyme evolution. Biochem J 2012 1.55
5 Theoretical insights into the mechanism for thiol/disulfide exchange. Chemistry 2004 1.38
6 Farnesyltransferase inhibitors: a detailed chemical view on an elusive biological problem. Curr Med Chem 2008 1.27
7 Vascular endothelial growth factor (VEGF) inhibition--a critical review. Anticancer Agents Med Chem 2007 1.24
8 The carboxylate shift in zinc enzymes: a computational study. J Am Chem Soc 2007 1.06
9 Mechanism for ribonucleotide reductase inactivation by the anticancer drug gemcitabine. J Comput Chem 2004 1.00
10 Analysis of zinc-ligand bond lengths in metalloproteins: trends and patterns. Proteins 2007 0.98
11 The first mammalian aldehyde oxidase crystal structure: insights into substrate specificity. J Biol Chem 2012 0.96
12 Mitochondrial introgressions into the nuclear genome of the domestic cat. J Hered 2007 0.92
13 Mammalian cytosolic glutathione transferases. Curr Protein Pept Sci 2008 0.92
14 The Zinc proteome: a tale of stability and functionality. Dalton Trans 2009 0.92
15 Molecular dynamics simulations on the critical states of the farnesyltransferase enzyme. Bioorg Med Chem 2009 0.90
16 Farnesyltransferase--new insights into the zinc-coordination sphere paradigm: evidence for a carboxylate-shift mechanism. Biophys J 2004 0.89
17 Structural divergence and adaptive evolution in mammalian cytochromes P450 2C. Gene 2006 0.87
18 Glutathione transferase: new model for glutathione activation. Chemistry 2008 0.87
19 Theoretical studies on farnesyltransferase: the distances paradox explained. Proteins 2007 0.87
20 AutoDock4(Zn): an improved AutoDock force field for small-molecule docking to zinc metalloproteins. J Chem Inf Model 2014 0.87
21 Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for zinc complexes. J Comput Chem 2009 0.86
22 Computational studies on the reactivity of substituted 1,2-dihydro-1,2-azaborines. J Org Chem 2009 0.86
23 Inhibition of pancreatic elastase by polyphenolic compounds. J Agric Food Chem 2010 0.85
24 Virtual screening in drug design and development. Comb Chem High Throughput Screen 2010 0.85
25 The current status of the NNRTI family of antiretrovirals used in the HAART regime against HIV infection. Curr Med Chem 2008 0.84
26 Structural characterization of a A-type linked trimeric anthocyanin derived pigment occurring in a young Port wine. Food Chem 2013 0.84
27 Unraveling the mechanism of the farnesyltransferase enzyme. J Biol Inorg Chem 2004 0.84
28 Theoretical studies on the mechanism of inhibition of Ribonucleotide Reductase by (E)-2'-Fluoromethylene-2'-deoxycitidine-5'-diphosphate. J Am Chem Soc 2003 0.84
29 Density-functional study of mechanisms for the cofactor-free decarboxylation performed by uroporphyrinogen III decarboxylase. J Phys Chem B 2005 0.83
30 Molecular determinants of ligand specificity in family 11 carbohydrate binding modules: an NMR, X-ray crystallography and computational chemistry approach. FEBS J 2008 0.82
31 Discovery of a large number of previously unrecognized mitochondrial pseudogenes in fish genomes. Genomics 2005 0.82
32 Glutathione transferase classes alpha, pi, and mu: GSH activation mechanism. J Phys Chem B 2010 0.81
33 Reaction mechanism of the vitamin K-dependent glutamate carboxylase: a computational study. J Phys Chem B 2007 0.81
34 The search for the mechanism of the reaction catalyzed by farnesyltransferase. Chemistry 2009 0.80
35 Definition of an electronic profile of compounds with inhibitory activity against hematin aggregation in malaria parasite. Bioorg Med Chem 2004 0.80
36 Direct covalent modification as a strategy to inhibit nuclear factor-kappa B. Curr Med Chem 2009 0.80
37 Theoretical studies on the mode of inhibition of ribonucleotide reductase by 2'-substituted substrate analogues. Chemistry 2003 0.80
38 Gathering computational genomics and proteomics to unravel adaptive evolution. Evol Bioinform Online 2007 0.79
39 Theoretical study of ribonucleotide reductase mechanism-based inhibition by 2'-azido-2'-deoxyribonucleoside 5'-diphosphates. J Comput Chem 2004 0.79
40 Understanding the binding of procyanidins to pancreatic elastase by experimental and computational methods. Biochemistry 2010 0.79
41 Enzyme flexibility and the catalytic mechanism of farnesyltransferase: targeting the relation. J Phys Chem B 2008 0.78
42 On the modeling of snake venom serine proteinase interactions with benzamidine-based thrombin inhibitors. Protein Sci 2004 0.78
43 Detailed atomistic analysis of the HIV-1 protease interface. J Phys Chem B 2011 0.78
44 Comparative assessment of theoretical methods for the determination of geometrical properties in biological zinc complexes. J Phys Chem B 2007 0.78
45 Chemical behavior of methylpyranomalvidin-3-O-glucoside in aqueous solution studied by NMR and UV-visible spectroscopy. J Phys Chem B 2011 0.78
46 A comparative density-functional study of the reaction mechanism of the O2-dependent coproporphyrinogen III oxidase. Bioorg Med Chem 2008 0.78
47 Molecular dynamics simulations of the amyloid-beta binding alcohol dehydrogenase (ABAD) enzyme. Bioorg Med Chem 2008 0.78
48 A tale of two acids: when arginine is a more appropriate acid than H3O+. J Phys Chem B 2010 0.78
49 Synthesis and structural characterization of two diasteroisomers of vinylcatechin dimers. J Agric Food Chem 2009 0.78
50 Isomerization of Δ5-androstene-3,17-dione into Δ4-androstene-3,17-dione catalyzed by human glutathione transferase A3-3: a computational study identifies a dual role for glutathione. J Phys Chem A 2014 0.77
51 Computational enzymatic catalysis--clarifying enzymatic mechanisms with the help of computers. Phys Chem Chem Phys 2012 0.77
52 Ribonucleotide activation by enzyme ribonucleotide reductase: understanding the role of the enzyme. J Comput Chem 2004 0.77
53 Mechanism of glutathione transferase P1-1-catalyzed activation of the prodrug canfosfamide (TLK286, TELCYTA). Biochemistry 2013 0.77
54 Receptor-drug association studies in the inhibition of the hematin aggregation process of malaria. FEBS Lett 2003 0.77
55 Gas-phase geometry optimization of biological molecules as a reasonable alternative to a continuum environment description: fact, myth, or fiction? J Phys Chem A 2009 0.77
56 Metals in proteins: cluster analysis studies. J Mol Model 2010 0.76
57 Computational characterization of the substrate-binding mode in coproporphyrinogen III oxidase. J Phys Chem B 2011 0.76
58 Comparative density functional study of models for the reaction mechanism of uroporphyrinogen III synthase. J Phys Chem B 2008 0.76
59 Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for copper complexes. J Comput Chem 2013 0.76
60 Theoretical studies on farnesyl transferase: evidence for thioether product coordination to the active-site zinc sphere. J Comput Chem 2007 0.76
61 Vinylcatechin dimers are much better copigments for anthocyanins than catechin dimer procyanidin b3. J Agric Food Chem 2010 0.75
62 Dehydration of ribonucleotides catalyzed by ribonucleotide reductase: the role of the enzyme. Biophys J 2005 0.75
63 Computational studies on class I ribonucleotide reductase: understanding the mechanisms of action and inhibition of a cornerstone enzyme for the treatment of cancer. Eur Biophys J 2005 0.75
64 Modelling of Human Fatty Acid Synthase and in Silico Docking of Acyl Carrier Protein Domain and Its Partner Catalytic Domains. J Phys Chem B 2017 0.75
65 Theoretical study of the suicide inhibition mechanism of the enzyme pyruvate formate lyase by methacrylate. J Am Chem Soc 2005 0.75
66 Glutathione transferase A1-1: catalytic importance of arginine 15. J Phys Chem B 2010 0.75
67 Computational studies of new potential antimalarial compounds--stereoelectronic complementarity with the receptor. J Comput Aided Mol Des 2003 0.75
68 Computational insight into anti-mutagenic properties of CYP1A flavonoid ligands. Med Chem 2005 0.75
69 Molecular interactions between human cytochrome P450 1A2 and flavone derivatives. Med Chem 2006 0.75
70 Clarifying the Catalytic Mechanism of Human Glutamine Synthetase: A QM/MM Study. J Phys Chem B 2017 0.75
71 Are hot-spots occluded from water? J Biomol Struct Dyn 2013 0.75
72 Virtual screening of compound libraries. Methods Mol Biol 2009 0.75
73 Structural features of copigmentation of oenin with different polyphenol copigments. J Agric Food Chem 2013 0.75
74 Theoretical study on the inhibition of ribonucleotide reductase by 2'-mercapto-2'-deoxyribonucleoside-5'-diphosphates. J Am Chem Soc 2005 0.75
75 Influence of frozen residues on the exploration of the PES of enzyme reaction mechanisms. J Chem Theory Comput 2017 0.75
76 Insights into the structural determinants of substrate specificity and activity in mouse aldehyde oxidases. J Biol Inorg Chem 2014 0.75
77 QM/MM study of the catalytic mechanism of GalNAc removal from GM2 ganglioside catalyzed by human β-hexosaminidaseA. J Phys Chem B 2011 0.75