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Accounts of Chemical Research, ISSN 0001-4842, 09/2016, Volume 49, Issue 9, pp. 1646 - 1657
Computational methods for docking small molecules to proteins are prominent in drug discovery. There are hundreds, if not thousands, of documented examplesand... 
PROLYL OLIGOPEPTIDASE INHIBITORS | MMP INHIBITORS | SOLVATED MACROMOLECULES | PROTEIN-LIGAND DOCKING | FLEXIBILITY | WATER-MOLECULES | SCORING FUNCTIONS | OPTIMIZATION | COVALENT DOCKING | CHEMISTRY, MULTIDISCIPLINARY | DISCOVERY | Index Medicus
Journal Article
Journal of Biological Chemistry, ISSN 0021-9258, 05/2012, Volume 287, Issue 19, pp. 15935 - 15946
Journal Article
Journal Article
CHEMMEDCHEM, ISSN 1860-7179, 03/2018, Volume 13, Issue 6, pp. 482 - 489
A matched molecular pair (MMP) consists of two small molecules that differ by a few atoms only. The minor structural difference between the molecules allows a... 
BINDING MODE | CHEMISTRY, MEDICINAL | matched molecular pairs | KINASE INHIBITORS | IDENTIFICATION | cheminformatics | 3D MMP | TEST SET | PDBBIND DATABASE | PHARMACOLOGY & PHARMACY | SCORING FUNCTIONS | OPTIMIZATION | SAR TRANSFER | activity cliffs | Protein Data Bank | FLEXIBLE DOCKING
Journal Article
ACS Medicinal Chemistry Letters, ISSN 1948-5875, 11/2014, Volume 5, Issue 11, pp. 1213 - 1218A
In the search for novel Gram-negative agents, we performed a comprehensive search of the AstraZeneca collection and identified a tetrahydropyran-based matrix... 
MMP | hydrophobe | Pseudomonas aeruginosa | Antibacterial | Aquifex aeolicus | Gram-negative bacteria | LpxC | GRAM-NEGATIVE INFECTIONS | CHEMISTRY, MEDICINAL | ZINC-DEPENDENT DEACETYLASE | HYDROXAMIC ACIDS | MECHANISM | ANTIBIOTIC-ACTIVITY | Gram-negative baceria | ANTIBACTERIAL DISCOVERY | CHALLENGES | BIOSYNTHESIS | BINDING | SELECTIVITY
Journal Article
Journal Article
Cancer Letters, ISSN 0304-3835, 2016, Volume 380, Issue 2, pp. 505 - 512
Highlights • Elevated expression of PRL-3 correlates with Src level in human breast cancer. • AMPI-109 or loss of PRL-3 reduces Src and ERK activation in TNBC... 
Hematology, Oncology and Palliative Medicine | MMP | Laminin | Metastasis | PRL-3 | Triple-negative breast cancer | SURVIVAL | ACTIVATION | CYTOSKELETON | PROLIFERATION | RHOGTPASES | ONCOLOGY | INHIBITOR | EXPRESSION | C-SRC | KINASES | Focal Adhesions - enzymology | Humans | rac GTP-Binding Proteins - metabolism | Protein Tyrosine Phosphatases - metabolism | rhoA GTP-Binding Protein - metabolism | Extracellular Signal-Regulated MAP Kinases - metabolism | Focal Adhesions - pathology | Neoplasm Proteins - metabolism | Triple Negative Breast Neoplasms - drug therapy | Calcitriol - analogs & derivatives | Neoplasm Metastasis | Protein Tyrosine Phosphatases - genetics | Transfection | RNA Interference | Time Factors | Actin Cytoskeleton - drug effects | Triple Negative Breast Neoplasms - pathology | src-Family Kinases - metabolism | Female | Matrix Metalloproteinase 10 - metabolism | Antineoplastic Agents - pharmacology | Neoplasm Proteins - genetics | Actin Cytoskeleton - enzymology | Triple Negative Breast Neoplasms - enzymology | Signal Transduction | Neoplasm Invasiveness | Cell Adhesion - drug effects | Cell Movement - drug effects | Focal Adhesions - drug effects | Triple Negative Breast Neoplasms - genetics | Calcitriol - pharmacology | Cell Line, Tumor | Actin Cytoskeleton - pathology | Laminin - metabolism | Muscle proteins | Actin | Breast cancer | Laboratories | Mortality | Kinases | Gene expression | Cancer therapies | Cell adhesion & migration | Proteins | Studies | Chemotherapy | Protein expression | Deoxyribonucleic acid--DNA | Tumors | Index Medicus | triple-negative breast cancer | laminin
Journal Article
Biomaterials, ISSN 0142-9612, 2013, Volume 35, Issue 9, pp. 2588 - 2599
Journal Article
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 06/2003, Volume 46, Issue 12, pp. 2376 - 2396
Journal Article
Physica Status Solidi (B) Basic Research, ISSN 0370-1972, 10/2007, Volume 244, Issue 10, pp. 3435 - 3447
In this paper, boundary methods for solving Maxwell equations are outlined with a focus on the Multiple Multipole Program (MMP) that is very advanced and well... 
NANOPARTICLES | MMP | PHYSICS, CONDENSED MATTER | ELEMENT METHOD | MULTIPLE MULTIPOLE METHOD | COMPUTATION | PHOTONIC CRYSTALS | SCATTERING
Journal Article
Neurocomputing, ISSN 0925-2312, 2011, Volume 74, Issue 6, pp. 954 - 961
Journal Article
Archives of Pharmacal Research, ISSN 0253-6269, 03/2007, Volume 30, Issue 3, pp. 290 - 298
Collagenase, a matrix metalloproteinases (MMPs), is a key regulator in the photoaging process of skin due to the reactive oxygen species generated after... 
Human skin fibroblast | MMP | Flavonoids | Structure activity relationship | Antioxidant