Published in J Chem Inf Comput Sci on August 13, 2001
Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection. J Comput Aided Mol Des (2002) 1.77
An approach to the interpretation of backpropagation neural network models in QSAR studies. SAR QSAR Environ Res (2002) 0.97
GAG-binding variants of tick-borne encephalitis virus. Virology (2010) 0.94
Modeling of the relationships between the structure of O-phosphorylated oximes and their anticholinesterase activity and selectivity using molecular field topology analysis (MFTA). Dokl Biochem Biophys (2008) 0.93
On mechanism of allosteric modulation of NMDA receptor via amino-terminal domains. Biochem Biophys Res Commun (2012) 0.88
Fast tools for calculation of atomic charges well suited for drug design. SAR QSAR Environ Res (2008) 0.85
Combined QSAR studies of inhibitor properties of O-phosphorylated oximes toward serine esterases involved in neurotoxicity, drug metabolism and Alzheimer's disease. SAR QSAR Environ Res (2012) 0.85
Kinetics and mechanism of inhibition of serine esterases by fluorinated aminophosphonates. Chem Biol Interact (2009) 0.85
Molecular modeling of N-terminal domains of NMDA-receptor. Study of ligand binding to N-terminal domains. Dokl Biochem Biophys (2004) 0.83
Molecular design of selective ligands of chemokine receptors. Dokl Biochem Biophys (2015) 0.83
Study of the structural determinants of acute and delayed neurotoxicity of O-phosphorylated oximes by molecular field topology analysis (MFTA). Dokl Biochem Biophys (2010) 0.83
Computer-aided design of negative allosteric modulators of NMDA receptor. Dokl Biochem Biophys (2013) 0.81
A spatial model of the glycine site of the NR1 subunit of NMDA-receptor and ligand docking. Dokl Biochem Biophys (2002) 0.81
Molecular model of the Wnt protein binding site on the surface of dimeric CRD domain of the hFzd8 receptor. Dokl Biochem Biophys (2008) 0.81
The binding site for allosteric modulators of AMPA receptor. Dokl Biochem Biophys (2005) 0.80
Role of two chloride-binding sites in functioning of testicular angiotensin-converting enzyme. Biochemistry (Mosc) (2005) 0.78
Modeling and analysis of ligand-receptor interactions in the GABAc receptor. Dokl Biochem Biophys (2007) 0.78
A new scheme for electronegativity equalization as a source of electronic descriptors: application to chemical reactivity. SAR QSAR Environ Res (2002) 0.76
Molecular modeling the human A1 adenosine receptor and study of the mechanisms of its selective ligand binding. Dokl Biochem Biophys (2002) 0.76
Molecular modeling study of the mechanism of ligand binding to human melatonin receptors. Dokl Biochem Biophys (2005) 0.76
New Test System for Serine/Threonine Protein Kinase Inhibitors Screening: E. coli APHVIII/Pk25 design. Acta Naturae (2010) 0.75
The study of the mechanism of binding of human ML1A melatonin receptor ligands using molecular modeling. Dokl Biochem Biophys (2004) 0.75
Molecular modeling of the complex between the xWNT8 protein and the CRD domain of the mFZD8 receptor. Dokl Biochem Biophys (2007) 0.75
Molecular dynamic simulation of the ligand-receptor complexes of the aminoterminal domain of the metabotropic glutamate receptor mGluR1. Dokl Biochem Biophys (2003) 0.75
A new binding mode of competitive antagonists to metabotropic glutamate receptors exemplified by the mGluR1-receptor antagonist AIDA (RS-aminoindan-1,5-dicarboxylic acid). Dokl Biochem Biophys (2002) 0.75
Highly diverse, massive organic data as explored by a composite QSPR strategy: an advanced study of boiling point. SAR QSAR Environ Res (2005) 0.75
A quantitative model of ligand binding to the glutamate site of the GluR2 subunit of AMPA receptor. Dokl Biochem Biophys (2003) 0.75
Molecular modeling of the ligand-binding domains of the NR3A and NR3B subunits of the NMDA receptor. Dokl Biochem Biophys (2003) 0.75
Molecular modeling of the closed forms of the kainate-binding domains of kainate receptors and qualitative analysis of the structure-activity relationships for some agonists. Dokl Biochem Biophys (2002) 0.75
The modeling of the structure of the cysteine-rich domain of metabotropic glutamate receptors. Dokl Biochem Biophys (2004) 0.75
Molecular modeling of modified peptides, potent inhibitors of the xWNT8 and hWNT8 proteins. J Mol Graph Model (2007) 0.75
Comparative analysis of the ligand-binding sites of the metabotropic glutamate receptors mGluR1-mGluR8. Dokl Biochem Biophys (2002) 0.75
The choice of atomic charges calculation scheme in 3D-QSAR modelling of GSK-3β inhibition by paullones. Dokl Biochem Biophys (2010) 0.75
Modeling the open and closed forms of GABAA receptor: analysis of ligand-receptor interactions for the GABA-binding site. Dokl Biochem Biophys (2006) 0.75
Molecular design of O-phosphorylated oximes--selective inhibitors of butyrylcholinesterase. Dokl Biochem Biophys (2012) 0.75
The learned symmetry concept in revealing quantitative structure-activity relationships with artificial neural networks. SAR QSAR Environ Res (2001) 0.75
Computer-aided modeling of activity and selectivity of quinazolinones as noncompetitive NMDA receptor antagonists. Dokl Biochem Biophys (2012) 0.75
Molecular modeling of the transmembrane domain of mGluR2 metabotropic glutamate receptor and the binding site of its positive allosteric modulators. Dokl Biochem Biophys (2014) 0.75
Molecular modeling of the mGluR1 metabotropic glutamate receptor transmembrane domain and construction of the model of its dimer. Dokl Biochem Biophys (2004) 0.75
Molecular modeling of the human A2a adenosine receptor. Dokl Biochem Biophys (2003) 0.75
3D-model of the ion channel of NMDA receptor: qualitative and quantitative modeling of the blocker binding. Dokl Biochem Biophys (2004) 0.75
The "hockey sticks" effect revisited: the conformational and electronic properties of 3,7-dithia-1,5-diazabicyclo[3.3.1]nonane from the QTAIM perspective. J Phys Chem A (2011) 0.75
Design of topological indices: computer-oriented approach. SAR QSAR Environ Res (2009) 0.75
Computer simulation of the three-dimensional structure of the glutamate site of the NR2B subunit of the NMDA receptor. Dokl Biochem Biophys (2002) 0.75