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Richard D Taylor

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Articles 26
Citations 1816
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Recent Articles
1.
Sakata K, Lowe M, Xuan M, Bruffaerts J, Stasi L, Lallemand B, et al.
ACS Med Chem Lett . 2023 Nov; 14(11):1582-1588. PMID: 37974949
Plasmepsin X (PMX) has been identified as a multistage antimalarial target. PMX is a malarial aspartyl protease essential for merozoite egress from infected red blood cells and invasion of the...
2.
Samways M, Bruce Macdonald H, Taylor R, Essex J
J Chem Inf Model . 2022 Dec; 63(1):387-396. PMID: 36469670
Water molecules at protein-ligand interfaces are often of significant pharmaceutical interest, owing in part to the entropy which can be released upon the displacement of an ordered water by a...
3.
Lukauskis D, Samways M, Aureli S, Cossins B, Taylor R, Gervasio F
J Chem Inf Model . 2022 Nov; 62(23):6209-6216. PMID: 36401553
Predicting the correct pose of a ligand binding to a protein and its associated binding affinity is of great importance in computer-aided drug discovery. A number of approaches have been...
4.
Lowe M, Cardenas A, Valentin J, Zhu Z, Abendroth J, Castro J, et al.
J Med Chem . 2022 Oct; 65(20):14121-14143. PMID: 36216349
Plasmepsin X (PMX) is an essential aspartyl protease controlling malaria parasite egress and invasion of erythrocytes, development of functional liver merozoites (prophylactic activity), and blocking transmission to mosquitoes, making it...
5.
Wong M, Kelm S, Liu X, Taylor R, Baker T, Essex J
Front Immunol . 2022 Jul; 13:969176. PMID: 35860259
[This corrects the article DOI: 10.3389/fimmu.2022.884110.].
6.
Shearer J, Castro J, Lawson A, MacCoss M, Taylor R
J Med Chem . 2022 Jun; 65(13):8699-8712. PMID: 35730680
We present a comprehensive analysis of all ring systems (both heterocyclic and nonheterocyclic) in clinical trial compounds and FDA-approved drugs. We show 67% of small molecules in clinical trials comprise...
7.
Wong M, Kelm S, Liu X, Taylor R, Baker T, Essex J
Front Immunol . 2022 Jun; 13:884110. PMID: 35707541
We have carried out a long-timescale simulation study on crystal structures of nine antibody-antigen pairs, in antigen-bound and antibody-only forms, using molecular dynamics with enhanced sampling and an explicit water...
8.
Macpherson A, Birtley J, Broadbridge R, Brady K, Schulze M, Tang Y, et al.
ACS Chem Biol . 2021 Aug; 16(9):1757-1769. PMID: 34406751
Cysteine-rich knob domains found in the ultralong complementarity determining regions of a subset of bovine antibodies are capable of functioning autonomously as 3-6 kDa peptides. While they can be expressed...
9.
Samways M, Taylor R, Bruce Macdonald H, Essex J
Chem Soc Rev . 2021 Jun; 50(16):9104-9120. PMID: 34184009
The fundamental importance of water molecules at drug-protein interfaces is now widely recognised and a significant feature in structure-based drug design. Experimental methods for analysing the role of water in...
10.
Stoppler D, Macpherson A, Smith-Penzel S, Basse N, Lecomte F, Deboves H, et al.
PLoS Biol . 2018 May; 16(5):e2006192. PMID: 29782488
Aiming at the design of an allosteric modulator of the neonatal Fc receptor (FcRn)-Immunoglobulin G (IgG) interaction, we developed a new methodology including NMR fragment screening, X-ray crystallography, and magic-angle-spinning...