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1.

Water Networks in Complexes between Proteins and FDA-Approved Drugs.

Samways, Marley L; Bruce Macdonald, Hannah E; Taylor, Richard D; Essex, Jonathan W.

J Chem Inf Model ; 63(1): 387-396, 2023 01 09.

Artículo en Inglés | MEDLINE | ID: mdl-36469670

2.

Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein-Ligand Binding Poses.

Lukauskis, Dominykas; Samways, Marley L; Aureli, Simone; Cossins, Benjamin P; Taylor, Richard D; Gervasio, Francesco Luigi.

J Chem Inf Model ; 62(23): 6209-6216, 2022 Dec 12.

Artículo en Inglés | MEDLINE | ID: mdl-36401553

3.

Water molecules at protein-drug interfaces: computational prediction and analysis methods.

Samways, Marley L; Taylor, Richard D; Bruce Macdonald, Hannah E; Essex, Jonathan W.

Chem Soc Rev ; 50(16): 9104-9120, 2021 Aug 21.

Artículo en Inglés | MEDLINE | ID: mdl-34184009

4.

Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.

Stöppler, Daniel; Macpherson, Alex; Smith-Penzel, Susanne; Basse, Nicolas; Lecomte, Fabien; Deboves, Hervé; Taylor, Richard D; Norman, Tim; Porter, John; Waters, Lorna C; Westwood, Marta; Cossins, Ben; Cain, Katharine; White, James; Griffin, Robert; Prosser, Christine; Kelm, Sebastian; Sullivan, Amy H; Fox, David; Carr, Mark D; Henry, Alistair; Taylor, Richard; Meier, Beat H; Oschkinat, Hartmut; Lawson, Alastair D.

PLoS Biol ; 16(5): e2006192, 2018 05.

Artículo en Inglés | MEDLINE | ID: mdl-29782488

5.

Design of Novel Series of Antimalarial PMX Inhibitors with Increased Half-Life via Molecular Property Optimization.

Sakata, Komei; Lowe, Martin A; Xuan, Mengyang; Bruffaerts, Jeffrey; Stasi, Luigi P; Lallemand, Bénédicte; Cardenas, Alvaro; Taylor, Richard D; Vidler, Lewis R; King, Lloyd; Valentin, Jean-Pierre; Laleu, Benoît; de Haro, Teresa.

ACS Med Chem Lett ; 14(11): 1582-1588, 2023 Nov 09.

Artículo en Inglés | MEDLINE | ID: mdl-37974949

6.

Higher Affinity Antibodies Bind With Lower Hydration and Flexibility in Large Scale Simulations.

Wong, Mabel T Y; Kelm, Sebastian; Liu, Xiaofeng; Taylor, Richard D; Baker, Terry; Essex, Jonathan W.

Front Immunol ; 13: 884110, 2022.

Artículo en Inglés | MEDLINE | ID: mdl-35707541

7.

Corrigendum: Higher Affinity Antibodies Bind With Lower Hydration and Flexibility in Large Scale Simulations.

Wong, Mabel T Y; Kelm, Sebastian; Liu, Xiaofeng; Taylor, Richard D; Baker, Terry; Essex, Jonathan W.

Front Immunol ; 13: 969176, 2022.

Artículo en Inglés | MEDLINE | ID: mdl-35860259

8.

Rings in Clinical Trials and Drugs: Present and Future.

Shearer, Jonathan; Castro, Jose L; Lawson, Alastair D G; MacCoss, Malcolm; Taylor, Richard D.

J Med Chem ; 65(13): 8699-8712, 2022 07 14.

Artículo en Inglés | MEDLINE | ID: mdl-35730680

9.

Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of UCB7362.

Lowe, Martin A; Cardenas, Alvaro; Valentin, Jean-Pierre; Zhu, Zhaoning; Abendroth, Jan; Castro, Jose L; Class, Reiner; Delaunois, Annie; Fleurance, Renaud; Gerets, Helga; Gryshkova, Vitalina; King, Lloyd; Lorimer, Donald D; MacCoss, Malcolm; Rowley, Julian H; Rosseels, Marie-Luce; Royer, Leandro; Taylor, Richard D; Wong, Melanie; Zaccheo, Oliver; Chavan, Vishal P; Ghule, Gokul A; Tapkir, Bapusaheb K; Burrows, Jeremy N; Duffey, Maëlle; Rottmann, Matthias; Wittlin, Sergio; Angulo-Barturen, Iñigo; Jiménez-Díaz, María Belén; Striepen, Josefine; Fairhurst, Kate J; Yeo, Tomas; Fidock, David A; Cowman, Alan F; Favuzza, Paola; Crespo-Fernandez, Benigno; Gamo, Francisco Javier; Goldberg, Daniel E; Soldati-Favre, Dominique; Laleu, Benoît; de Haro, Teresa.

J Med Chem ; 65(20): 14121-14143, 2022 10 27.

Artículo en Inglés | MEDLINE | ID: mdl-36216349

10.

The Chemical Synthesis of Knob Domain Antibody Fragments.

Macpherson, Alex; Birtley, James R; Broadbridge, Robert J; Brady, Kevin; Schulze, Monika-Sarah E D; Tang, Yalan; Joyce, Callum; Saunders, Kenneth; Bogle, Gregory; Horton, John; Kelm, Sebastian; Taylor, Richard D; Franklin, Richard J; Selby, Matthew D; Laabei, Maisem; Wonfor, Toska; Hold, Adam; Stanley, Phil; Vadysirisack, Douangsone; Shi, Jiye; van den Elsen, Jean; Lawson, Alastair D G.

ACS Chem Biol ; 16(9): 1757-1769, 2021 09 17.

Artículo en Inglés | MEDLINE | ID: mdl-34406751

11.

Combining Molecular Scaffolds from FDA Approved Drugs: Application to Drug Discovery.

Taylor, Richard D; MacCoss, Malcolm; Lawson, Alastair D G.

J Med Chem ; 60(5): 1638-1647, 2017 03 09.

Artículo en Inglés | MEDLINE | ID: mdl-27935308

12.

Computational design of an epitope-specific Keap1 binding antibody using hotspot residues grafting and CDR loop swapping.

Liu, Xiaofeng; Taylor, Richard D; Griffin, Laura; Coker, Shu-Fen; Adams, Ralph; Ceska, Tom; Shi, Jiye; Lawson, Alastair D G; Baker, Terry.

Sci Rep ; 7: 41306, 2017 01 27.

Artículo en Inglés | MEDLINE | ID: mdl-28128368

13.

Discovery of a junctional epitope antibody that stabilizes IL-6 and gp80 protein:protein interaction and modulates its downstream signaling.

Adams, Ralph; Burnley, Rebecca J; Valenzano, Chiara R; Qureshi, Omar; Doyle, Carl; Lumb, Simon; Del Carmen Lopez, Maria; Griffin, Robert; McMillan, David; Taylor, Richard D; Meier, Chris; Mori, Prashant; Griffin, Laura M; Wernery, Ulrich; Kinne, Jörg; Rapecki, Stephen; Baker, Terry S; Lawson, Alastair D G; Wright, Michael; Ettorre, Anna.

Sci Rep ; 7: 37716, 2017 01 30.

Artículo en Inglés | MEDLINE | ID: mdl-28134246

14.

Principal atrial fibrillation discharges by the new ACC/AHA/ESC classification.

Dixon, Brian J; Bracha, Yiscah; Loecke, Steven W; Guerrero, Marco A; Taylor, Richard D; Asinger, Richard W.

Arch Intern Med ; 165(16): 1877-81, 2005 Sep 12.

Artículo en Inglés | MEDLINE | ID: mdl-16157832

15.

Prediction of binding modes for ligands in the cytochromes P450 and other heme-containing proteins.

Kirton, Stewart B; Murray, Christopher W; Verdonk, Marcel L; Taylor, Richard D.

Proteins ; 58(4): 836-44, 2005 Mar 01.

Artículo en Inglés | MEDLINE | ID: mdl-15651036

16.

Comparing protein-ligand docking programs is difficult.

Cole, Jason C; Murray, Christopher W; Nissink, J Willem M; Taylor, Richard D; Taylor, Robin.

Proteins ; 60(3): 325-32, 2005 Aug 15.

Artículo en Inglés | MEDLINE | ID: mdl-15937897

17.

Modeling water molecules in protein-ligand docking using GOLD.

Verdonk, Marcel L; Chessari, Gianni; Cole, Jason C; Hartshorn, Michael J; Murray, Christopher W; Nissink, J Willem M; Taylor, Richard D; Taylor, Robin.

J Med Chem ; 48(20): 6504-15, 2005 Oct 06.

Artículo en Inglés | MEDLINE | ID: mdl-16190776

18.

Improved protein-ligand docking using GOLD.

Verdonk, Marcel L; Cole, Jason C; Hartshorn, Michael J; Murray, Christopher W; Taylor, Richard D.

Proteins ; 52(4): 609-23, 2003 Sep 01.

Artículo en Inglés | MEDLINE | ID: mdl-12910460

19.

Rings in drugs.

Taylor, Richard D; MacCoss, Malcolm; Lawson, Alastair D G.

J Med Chem ; 57(14): 5845-59, 2014 Jul 24.

Artículo en Inglés | MEDLINE | ID: mdl-24471928

20.

Structure-based virtual screening for novel ligands.

Pitt, William R; Calmiano, Mark D; Kroeplien, Boris; Taylor, Richard D; Turner, James P; King, Michael A.

Methods Mol Biol ; 1008: 501-19, 2013.

Artículo en Inglés | MEDLINE | ID: mdl-23729265

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