Publications by authors named "Richard D Taylor"

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Accelerating fragment-based drug discovery using grand canonical nonequilibrium candidate Monte Carlo.
William G Poole, Marley L Samways, Davide Branduardi, Richard D Taylor, Marcel L Verdonk

Nat Commun· July 2025

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Design of Novel Series of Antimalarial PMX Inhibitors with Increased Half-Life via Molecular Property Optimization.
Komei Sakata, Martin A Lowe, Mengyang Xuan, Jeffrey Bruffaerts, Luigi P Stasi, Richard D Taylor

ACS Med Chem Lett· November 2023

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Water Networks in Complexes between Proteins and FDA-Approved Drugs.
Marley L Samways, Hannah E Bruce Macdonald, Richard D Taylor, Jonathan W Essex

J Chem Inf Model· January 2023

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Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein-Ligand Binding Poses.
Dominykas Lukauskis, Marley L Samways, Simone Aureli, Benjamin P Cossins, Richard D Taylor

J Chem Inf Model· December 2022

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Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of .
Martin A Lowe, Alvaro Cardenas, Jean-Pierre Valentin, Zhaoning Zhu, Jan Abendroth, Richard D Taylor

J Med Chem· October 2022

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Rings in Clinical Trials and Drugs: Present and Future.
Jonathan Shearer, Jose L Castro, Alastair D G Lawson, Malcolm MacCoss, Richard D Taylor

J Med Chem· July 2022

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Corrigendum: Higher Affinity Antibodies Bind With Lower Hydration and Flexibility in Large Scale Simulations.
Mabel T Y Wong, Sebastian Kelm, Xiaofeng Liu, Richard D Taylor, Terry Baker

Front Immunol· July 2022

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Higher Affinity Antibodies Bind With Lower Hydration and Flexibility in Large Scale Simulations.
Mabel T Y Wong, Sebastian Kelm, Xiaofeng Liu, Richard D Taylor, Terry Baker

Front Immunol· June 2022

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The Chemical Synthesis of Knob Domain Antibody Fragments.
Alex Macpherson, James R Birtley, Robert J Broadbridge, Kevin Brady, Monika-Sarah E D Schulze, Richard D Taylor

ACS Chem Biol· September 2021

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Water molecules at protein-drug interfaces: computational prediction and analysis methods.
Marley L Samways, Richard D Taylor, Hannah E Bruce Macdonald, Jonathan W Essex

Chem Soc Rev· August 2021

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Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
Daniel Stöppler, Alex Macpherson, Susanne Smith-Penzel, Nicolas Basse, Fabien Lecomte, Richard D Taylor, Richard Taylor

PLoS Biol· May 2018

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Combining Molecular Scaffolds from FDA Approved Drugs: Application to Drug Discovery.
Richard D Taylor, Malcolm MacCoss, Alastair D G Lawson

J Med Chem· March 2017

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Computational design of an epitope-specific Keap1 binding antibody using hotspot residues grafting and CDR loop swapping.
Xiaofeng Liu, Richard D Taylor, Laura Griffin, Shu-Fen Coker, Ralph Adams

Sci Rep· January 2017

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Discovery of a junctional epitope antibody that stabilizes IL-6 and gp80 protein:protein interaction and modulates its downstream signaling.
Ralph Adams, Rebecca J Burnley, Chiara R Valenzano, Omar Qureshi, Carl Doyle, Richard D Taylor

Sci Rep· January 2017

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Rings in drugs.
Richard D Taylor, Malcolm MacCoss, Alastair D G Lawson

J Med Chem· July 2014

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Structure-based virtual screening for novel ligands.
William R Pitt, Mark D Calmiano, Boris Kroeplien, Richard D Taylor, James P Turner

Methods Mol Biol· December 2013

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Novel potent BRAF inhibitors: toward 1 nM compounds through optimization of the central phenyl ring.
Delphine Ménard, Ion Niculescu-Duvaz, Harmen P Dijkstra, Dan Niculescu-Duvaz, Bart M J M Suijkerbuijk, Richard D Taylor

J Med Chem· July 2009

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Pyridoimidazolones as novel potent inhibitors of v-Raf murine sarcoma viral oncogene homologue B1 (BRAF).
Dan Niculescu-Duvaz, Catherine Gaulon, Harmen P Dijkstra, Ion Niculescu-Duvaz, Alfonso Zambon, Richard D Taylor

J Med Chem· April 2009

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Efficient Generalized Born Models for Monte Carlo Simulations.
Julien Michel, Richard D Taylor, Jonathan W Essex

J Chem Theory Comput· May 2006

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Modeling water molecules in protein-ligand docking using GOLD.
Marcel L Verdonk, Gianni Chessari, Jason C Cole, Michael J Hartshorn, Christopher W Murray, Richard D Taylor, Robin Taylor

J Med Chem· October 2005

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Principal atrial fibrillation discharges by the new ACC/AHA/ESC classification.
Brian J Dixon, Yiscah Bracha, Steven W Loecke, Marco A Guerrero, Richard D Taylor

Arch Intern Med· September 2005

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Comparing protein-ligand docking programs is difficult.
Jason C Cole, Christopher W Murray, J Willem M Nissink, Richard D Taylor, Robin Taylor

Proteins· August 2005

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Virtual screening using protein-ligand docking: avoiding artificial enrichment.
Marcel L Verdonk, Valerio Berdini, Michael J Hartshorn, Wijnand T M Mooij, Christopher W Murray, Richard D Taylor

J Chem Inf Comput Sci· March 2005

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Prediction of binding modes for ligands in the cytochromes P450 and other heme-containing proteins.
Stewart B Kirton, Christopher W Murray, Marcel L Verdonk, Richard D Taylor

Proteins· March 2005

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The parameterization and validation of generalized born models using the pairwise descreening approximation.
Julien Michel, Richard D Taylor, Jonathan W Essex

J Comput Chem· November 2004

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