Items where Author is "Keserű, György Miklós"

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Number of items: 24.

Williams, Glyn and Ferenczy, György and Ulander, Johan and Keserű, György Miklós (2017) Binding thermodynamics discriminates fragments from druglike compounds: a thermodynamic description of fragment-based drug discovery. DRUG DISCOVERY TODAY, 22 (4). pp. 681-689. ISSN 1359-6446

Keserű, György Miklós and Erlanson, D. A. and Ferenczy, György and Hann, Michael M. and Murray, C. W. (2016) Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia. JOURNAL OF MEDICINAL CHEMISTRY, 59 (18). pp. 8189-8206. ISSN 0022-2623

Kelemen, Ádám Andor and Kiss, R. and Ferenczy, György and Kovács, L. and Flachner, Beáta and Keserű, György Miklós (2016) Structure-Based Consensus Scoring Scheme for Selecting Class A Aminergic GPCR Fragments. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 56 (2). pp. 412-422. ISSN 1549-9596

Kiss, Róbert and Keserű, György Miklós (2016) Structure-based discovery and binding site analysis of histamine receptor ligands. EXPERT OPINION ON DRUG DISCOVERY, 11 (12). pp. 1165-1185. ISSN 1746-0441

Csimbók, Ervin and Takács, Daniella and Balog, József A. and Egyed, Orsolya and May-Nagy, Nóra V. and Keserű, György Miklós (2016) The first synthesis of isoxazolo[3,4-c]pyridine-7-ones. TETRAHEDRON LETTERS, 57 (39). pp. 4401-4404. ISSN 0040-4039

Szőllősi, Edit and Bobok, Amrita and Kiss, László and Vass, Márton and Kurkó, Dalma and Keserű, György Miklós (2015) Cell-based and virtual fragment screening for adrenergic a2C receptor agonists. BIOORGANIC & MEDICINAL CHEMISTRY, 23 (14). pp. 3991-3999. ISSN 0968-0896

Tarcsay, Ákos and Keserű, György Miklós (2015) Is there a link between selectivity and binding thermodynamics profiles? DRUG DISCOVERY TODAY, 20 (1). pp. 86-94. ISSN 1359-6446

Nógrádi, Katalin and Wágner, Gábor and Domány, György and Bobok, Amrita and Magdó, Ildikó and Keserű, György Miklós (2015) Thieno[2,3-b]pyridines as negative allosteric modulators of metabotropic GluR5 receptors: Lead optimization. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 25. pp. 1724-1729. ISSN 0960-894X

Kelemen, Ádám Andor and Ferenczy, György and Keserű, György Miklós (2015) A desirability function-based scoring scheme for selecting fragment-like class A aminergic GPCR ligands. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 29 (1). pp. 59-66. ISSN 0920-654X

Ferenczy, György and Keserű, György Miklós (2015) The impact of binding thermodynamics on medicinal chemistry optimizations. Future Medicinal Chemistry, 7 (10). pp. 1285-1303. ISSN 1756-8919

Keserű, György Miklós and Soós, Tibor and Kappe, CO (2014) Anthropogenic reaction parameters - the missing link between chemical intuition and the available chemical space. CHEMICAL SOCIETY REVIEWS, 43. pp. 5387-5399. ISSN 0306-0012

Baskin, R. and Park, SO. and Keserű, György Miklós and Bisht, KS. and Wamsley, HL. (2014) The Jak2 Small Molecule Inhibitor, G6, Reduces the Tumorigenic Potential of T98G Glioblastoma Cells In Vitro and In Vivo. PLOS ONE, 9 (8). e105568. ISSN 1932-6203

Vass, Márton and Ágai-Csongor, Éva and Horti, Ferenc and Keserű, György Miklós (2014) Multiple Fragment Docking and Linking in Primary and Secondary Pockets of Dopamine Receptors. ACS MEDICINAL CHEMISTRY LETTERS, 5 (9). pp. 1010-1014. ISSN 1948-5875

Szabó, György and Keserű, György Miklós (2014) Positive Allosteric Modulators for mGluR2 Receptors: A Medicinal Chemistry Perspective. CURRENT TOPICS IN MEDICINAL CHEMISTRY, 14 (15). pp. 1771-1788. ISSN 1568-0266

Polgár, Tímea and Keserű, György Miklós (2014) Structure-Based beta-Secretase (BACE1) Inhibitors. CURRENT PHARMACEUTICAL DESIGN, 20 (20). pp. 3373-3379. ISSN 1381-6128

Murray, C. W. and Erlanson, D. A. and Hopkins, A. L. and Keserű, György Miklós and Leeson, P. D. (2014) Validity of Ligand Efficiency Metrics. ACS MEDICINAL CHEMISTRY LETTERS, 5 (6). pp. 616-618. ISSN 1948-5875

Vass, Márton and Schmidt, Éva and Horti, Ferenc and Keserű, György Miklós (2014) Virtual fragment screening on GPCRs: A case study on dopamine D3 and histamine H4 receptors. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 77 (2). pp. 38-46. ISSN 0223-5234

Hopkins, Andrew L. and Keserű, György Miklós and Leeson, Paul D. and Rees, David C. and Reynolds, Charles H. (2014) The role of ligand efficiency metrics in drug discovery. NATURE REVIEWS DRUG DISCOVERY, 13 (2). pp. 105-121. ISSN 1474-1776

Tarcsay, Ákos and Keserű, György Miklós (2013) Contributions of Molecular Properties to Drug Promiscuity Miniperspective. Journal of Medicinal Chemistry, 56 (5). pp. 1789-1795. ISSN 0022-2623

Visegrády, András and Keserű, György Miklós (2013) Fragment-based lead discovery on G-protein-coupled receptors. EXPERT OPINION IN DRUG DISCOVERY, 8 (7). pp. 811-820. ISSN 1746-0441

Ferenczy, György G. and Keserű, György Miklós (2013) How fragments are optimized? A retrospective analysis of 145 fragment optimizations. Journal of Medicinal Chemistry, 56 (6). pp. 2478-2486. ISSN 0022-2623

Menyhárd, D.K. and Keserű, György Miklós and Náray-Szabó, Gábor (2009) Calmodulin in Complex with Proteins and Small Molecule Ligands: Operating with the Element of Surprise. Implications for Structure-Based Drug Design. Current Computer-Aided Drug Design, 5 (4). pp. 264-279.

Keserű, György Miklós and Karancsiné Menyhárd, Dóra and Kolossváry, István and Kovári, Zoltán (2008) Konformációs viszonyok és elektronszerkezet-változások vizsgálata fehérjékben = Investigation of conformational fluctuations and electronic structure variations in proteins. Project Report. OTKA.

Hajnal, Zoltán and Keserű, György Miklós and Simon, Kálmán (1999) A semiempirical approach to hydrogen bonding networks. Application of the Cyclic Cluster Model to organic crystals. Journal of Molecular Structure: THEOCHEM, 463 (1-2). pp. 169-174. ISSN 0166-1280

This list was generated on Sun Jun 24 01:21:41 2018 CEST.