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| 37905971 | Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment. | Proteins | 2023 |
| 37905971 | Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment. | Proteins | 2023 |
| 27122118 | Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment. | Proteins | 2016 |
| 27122118 | Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment. | Proteins | 2016 |
| 20403587 | The effect of R249S carcinogenic and H168R-R249S suppressor mutations on p53-DNA interaction, a multi scale computational study. | Comput Biol Med | 2010 |
| 20355453 | Tribochemical reaction dynamics of molybdenum dithiocarbamate on nascent iron surface: a hybrid quantum chemical/classical molecular dynamics study. | J Nanosci Nanotechnol | 2010 |
| 20355445 | Quantum chemistry study on absorption spectra, electronic and electrical properties of organic dye on anatase(001). | J Nanosci Nanotechnol | 2010 |
| 20403587 | The effect of R249S carcinogenic and H168R-R249S suppressor mutations on p53-DNA interaction, a multi scale computational study. | Comput Biol Med | 2010 |
| 20355453 | Tribochemical reaction dynamics of molybdenum dithiocarbamate on nascent iron surface: a hybrid quantum chemical/classical molecular dynamics study. | J Nanosci Nanotechnol | 2010 |
| 20355445 | Quantum chemistry study on absorption spectra, electronic and electrical properties of organic dye on anatase(001). | J Nanosci Nanotechnol | 2010 |
| 18848727 | Quantum chemical studies for oxidation of morpholine by Cytochrome P450. | J Inorg Biochem | 2009 |
| 19408019 | A graph theoretical approach for assessing bio-macromolecular complex structural stability. | J Mol Model | 2009 |
| 18848727 | Quantum chemical studies for oxidation of morpholine by Cytochrome P450. | J Inorg Biochem | 2009 |
| 19408019 | A graph theoretical approach for assessing bio-macromolecular complex structural stability. | J Mol Model | 2009 |
| 17227672 | Identification of amino acid residues in the Ah receptor involved in ligand binding. | Biochem Biophys Res Commun | 2007 |
| 17227672 | Identification of amino acid residues in the Ah receptor involved in ligand binding. | Biochem Biophys Res Commun | 2007 |
| 17305485 | Combinatorial computational chemistry approach for materials design: applications in deNOx catalysis, Fischer-Tropsch synthesis, lanthanoid complex, and lithium ion secondary battery. | Comb Chem High Throughput Screen | 2007 |
| 17387527 | Oxidation mechanism in the metabolism of (S)-N-[1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylacrylamide on oxyferryl active site in CYP3A4 Cytochrome: DFT modeling. | J Mol Model | 2007 |
| 17305485 | Combinatorial computational chemistry approach for materials design: applications in deNOx catalysis, Fischer-Tropsch synthesis, lanthanoid complex, and lithium ion secondary battery. | Comb Chem High Throughput Screen | 2007 |
| 17387527 | Oxidation mechanism in the metabolism of (S)-N-[1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylacrylamide on oxyferryl active site in CYP3A4 Cytochrome: DFT modeling. | J Mol Model | 2007 |
| 16956275 | First-principles study on proton dissociation properties of fluorocarbon- and hydrocarbon-based membranes in low humidity conditions. | J Phys Chem B | 2006 |
| 17503399 | Robotic path planning and protein complex modeling considering low frequency intra-molecular loop and domain motions. | Genome Inform | 2006 |
| 16956275 | First-principles study on proton dissociation properties of fluorocarbon- and hydrocarbon-based membranes in low humidity conditions. | J Phys Chem B | 2006 |
| 16798095 | Molecular dynamics study on the ligand recognition by tandem SH3 domains of p47phox, regulating NADPH oxidase activity. | Comput Biol Chem | 2006 |
| 16942091 | Tribochemical reaction dynamics of phosphoric ester lubricant additive by using a hybrid tight-binding quantum chemical molecular dynamics method. | J Phys Chem B | 2006 |
| 16989998 | Three-dimensional quantitative structure-activity relationship (3 D-QSAR) and docking studies on (benzothiazole-2-yl) acetonitrile derivatives as c-Jun N-terminal kinase-3 (JNK3) inhibitors. | Bioorg Med Chem Lett | 2006 |
| 17503399 | Robotic path planning and protein complex modeling considering low frequency intra-molecular loop and domain motions. | Genome Inform | 2006 |
| 16989998 | Three-dimensional quantitative structure-activity relationship (3 D-QSAR) and docking studies on (benzothiazole-2-yl) acetonitrile derivatives as c-Jun N-terminal kinase-3 (JNK3) inhibitors. | Bioorg Med Chem Lett | 2006 |
| 16798095 | Molecular dynamics study on the ligand recognition by tandem SH3 domains of p47phox, regulating NADPH oxidase activity. | Comput Biol Chem | 2006 |
| 16942091 | Tribochemical reaction dynamics of phosphoric ester lubricant additive by using a hybrid tight-binding quantum chemical molecular dynamics method. | J Phys Chem B | 2006 |
| 16901098 | A graph theoretical approach for analysis of protein flexibility change at protein complex formation. | Genome Inform | 2005 |
| 16901098 | A graph theoretical approach for analysis of protein flexibility change at protein complex formation. | Genome Inform | 2005 |
| 15706497 | RNA 3D structure prediction: (1) assessing rna 3D structure similarity from 2D structure similarity. | Genome Inform | 2004 |
| 15706497 | RNA 3D structure prediction: (1) assessing rna 3D structure similarity from 2D structure similarity. | Genome Inform | 2004 |
| 12523839 | In vitro hydrolysis of blends from enantiomeric poly(lactide)s. 3. Homocrystallized and amorphous blend films. | Biomacromolecules | 2003 |
| 15706538 | Docking unbound proteins with MIAX: a novel algorithm for protein-protein soft docking. | Genome Inform | 2003 |
| 12523839 | In vitro hydrolysis of blends from enantiomeric poly(lactide)s. 3. Homocrystallized and amorphous blend films. | Biomacromolecules | 2003 |
| 15706538 | Docking unbound proteins with MIAX: a novel algorithm for protein-protein soft docking. | Genome Inform | 2003 |
| 12052622 | Detection of Chlamydia trachomatis infection with DNA extracted from formalin-fixed paraffin-embedded tissues. | Diagn Microbiol Infect Dis | 2002 |
| 12211037 | MIAX: a new paradigm for modeling biomacromolecular interactions and complex formation in condensed phases. | Proteins | 2002 |
| 12067416 | A combined bioinformatic approach oriented to the analysis and design of peptides with high affinity to MHC class I molecules. | Immunol Cell Biol | 2002 |
| 12052622 | Detection of Chlamydia trachomatis infection with DNA extracted from formalin-fixed paraffin-embedded tissues. | Diagn Microbiol Infect Dis | 2002 |
| 14571385 | Folding pattern recognition in proteins using spectral analysis methods. | Genome Inform | 2002 |
| 14571385 | Folding pattern recognition in proteins using spectral analysis methods. | Genome Inform | 2002 |
| 12211037 | MIAX: a new paradigm for modeling biomacromolecular interactions and complex formation in condensed phases. | Proteins | 2002 |
| 12067416 | A combined bioinformatic approach oriented to the analysis and design of peptides with high affinity to MHC class I molecules. | Immunol Cell Biol | 2002 |
| 11791230 | Automatic epitope recognition in proteins oriented to the system for macromolecular interaction assessment MIAX. | Genome Inform | 2001 |
| 11791230 | Automatic epitope recognition in proteins oriented to the system for macromolecular interaction assessment MIAX. | Genome Inform | 2001 |
| 10793212 | A synthetic peptide of human apoprotein E with antibacterial activity. | Peptides | 2000 |
| 11700601 | MIAX: a system for assessment of macromolecular interaction. 3) A parallel hybrid GA for flexible protein docking. | Genome Inform Ser Workshop Genome Inform | 2000 |