Published in J Mol Model on September 16, 2010
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Construction of 4D-QSAR models for use in the design of novel p38-MAPK inhibitors. J Comput Aided Mol Des (2005) 0.97
Receptor-dependent (RD) 3D-QSAR approach of a series of benzylpiperidine inhibitors of human acetylcholinesterase (HuAChE). Eur J Med Chem (2010) 0.90
Free-energy force-field three-dimensional quantitative structure-activity relationship analysis of a set of p38-mitogen activated protein kinase inhibitors. J Mol Model (2006) 0.88
Characterization of the antinociceptive and anti-inflammatory activities of fractions obtained from Copaifera multijuga Hayne. J Ethnopharmacol (2010) 0.86
Theoretical evaluation of adiabatic and vertical electron affinity of some radiosensitizers in solution using FEP, ab initio and DFT methods. Biophys Chem (2004) 0.84
Hologram QSAR models of 4-[(diethylamino)methyl]-phenol inhibitors of acetyl/butyrylcholinesterase enzymes as potential anti-Alzheimer agents. Molecules (2012) 0.84
Application of 4D-QSAR studies to a series of raloxifene analogs and design of potential selective estrogen receptor modulators. Molecules (2012) 0.83
3D-QSAR CoMFA/CoMSIA models based on theoretical active conformers of HOE/BAY-793 analogs derived from HIV-1 protease inhibitor complexes. Eur J Med Chem (2009) 0.82
Residue-ligand interaction energy (ReLIE) on a receptor-dependent 3D-QSAR analysis of S- and NH-DABOs as non-nucleoside reverse transcriptase inhibitors. Molecules (2012) 0.81
Local intersection volume: a new 3D descriptor applied to develop a 3D-QSAR pharmacophore model for benzodiazepine receptor ligands. Eur J Med Chem (2002) 0.77
Antineoplasic activity of Copaifera multijuga oil and fractions against ascitic and solid Ehrlich tumor. J Ethnopharmacol (2008) 0.77
On the structure, interactions, and dynamics of bound VEGF. J Mol Graph Model (2007) 0.77
Potential of mean force calculations on an L-type calcium channel model. Protein Eng (2003) 0.77
Molecular dynamics simulations of peptide inhibitors complexed with Trypanosoma cruzi trypanothione reductase. Chem Biol Drug Des (2012) 0.76
Receptor-dependent 4D-QSAR analysis of peptidemimetic inhibitors of Trypanosoma cruzi trypanothione reductase with receptor-based alignment. Chem Biol Drug Des (2012) 0.76
Indole glucoalkaloids from Chimarrhis turbinata and their evaluation as antioxidant agents and acetylcholinesterase inhibitors. J Nat Prod (2004) 0.76
A molecular dynamics study of an L-type calcium channel model. Protein Eng (2002) 0.76
Structure-function inferences based on molecular modeling, sequence-based methods and biological data analysis of snake venom lectins. Toxicon (2006) 0.76
Hologram quantitative structure-activity relationship and comparative molecular field analysis studies within a series of tricyclic phthalimide HIV-1 integrase inhibitors. Drug Des Devel Ther (2013) 0.75
The receptor-dependent QSAR paradigm: an overview of the current state of the art. Med Chem (2009) 0.75
Structural model of haptoglobin and its complex with the anticoagulant ecotin variants: structure-activity relationship study and analysis of interactions. J Enzyme Inhib Med Chem (2013) 0.75
Molecular docking of a series of peptidomimetics in the trypanothione binding site of T. cruzi trypanothione reductase. J Mol Graph Model (2009) 0.75
Investigation of the induced-fit mechanism and catalytic activity of the human cytomegalovirus protease homodimer via molecular dynamics simulations. Proteins (2003) 0.75
3D-QSAR CoMFA of a series of DABO derivatives as HIV-1 reverse transcriptase non-nucleoside inhibitors. J Chem Inf Model (2008) 0.75
Synthetic and theoretical studies on the reduction of electron withdrawing group conjugated olefins using the Hantzsch 1,4-dihydropyridine ester. J Org Chem (2003) 0.75
["Doliarina and iron powder": an important medicine at Peckolt Pharmacy]. Hist Cienc Saude Manguinhos (2015) 0.75
A versatile low temperature solid-state synthesis of vanadium nitride (VN) via a "guanidinium-route": experimental and theoretical studies from the key-intermediate to the final product. Dalton Trans (2012) 0.75
Investigating the differential activation of vascular endothelial growth factor (VEGF) receptors. J Mol Graph Model (2009) 0.75