Richard A Bryce
Overview
Explore the profile of Richard A Bryce including associated specialties, affiliations and a list of published articles.
Author names and details appear as published. Due to indexing inconsistencies, multiple individuals may share a name, and a single author may have variations. MedLuna displays this data as publicly available, without modification or verification
Snapshot
Snapshot
Articles
83
Citations
477
Followers
0
Related Specialties
Related Specialties
Top 10 Co-Authors
Top 10 Co-Authors
Published In
Affiliations
Affiliations
Soon will be listed here.
Recent Articles
1.
Kong L, Bryce R
Chemphyschem
. 2025 Feb;
:e202400992.
PMID: 40017058
Accurate and efficient prediction of high energy ligand conformations is important in structure-based drug discovery for the exclusion of unrealistic structures in docking-based virtual screening and de novo design approaches....
2.
Belgath A, Emam A, Taujanskas J, Bryce R, Freeman S, Stratford I
Int J Mol Sci
. 2024 Nov;
25(22).
PMID: 39596096
Inhibitors of NQO2 (NRH: quinone oxidoreductase) have potential application in several areas of medicine and pharmacology, including cancer, neurodegeneration (PD and AD), stroke, and diabetes. Here, resveratrol, a known inhibitor...
3.
El-Sayed S, McMahon E, Musleh S, Freeman S, Brough D, Kasher P, et al.
Bioorg Chem
. 2024 Oct;
153:107909.
PMID: 39467507
The NLRP3 inflammasome is a key target for drug discovery due to its implication in a range of inflammation-related diseases. In this work, we identify new inhibitors of the NLRP3...
4.
Musleh S, Alibay I, Biggin P, Bryce R
J Chem Inf Model
. 2024 Oct;
64(20):8063-8073.
PMID: 39413277
Carbohydrates are key biological mediators of molecular recognition and signaling processes. In this case study, we explore the ability of absolute binding free energy (ABFE) calculations to predict the affinities...
5.
Williams C, Kalayan J, Burton N, Bryce R
Chem Sci
. 2024 Aug;
15(32):12780-12795.
PMID: 39148799
Computational simulation methods based on machine learned potentials (MLPs) promise to revolutionise shape prediction of flexible molecules in solution, but their widespread adoption has been limited by the way in...
6.
Eadsforth M, Kong L, Whitehead G, Vitorica-Yrezabal I, OKeefe R, Bryce R, et al.
Acta Crystallogr E Crystallogr Commun
. 2024 Aug;
80(Pt 8):857-862.
PMID: 39108782
The X-ray crystal structure data of 12-α-fluoro-3β-hy-droxy-olean-28,13β-olide methanol hemisolvate, 2CHFO·CHOH, (), and 12-α-fluoro-3β-hy-droxy-taraxer-28,14β-olide methanol hemisolvate, 2CHFO·CHOH, (), are described. The fluoro-lactonization of oleanolic acid using Selectfluor yielded a mixture of...
7.
Abou Hajal A, Bryce R, Amor B, Atatreh N, Ghattas M
J Chem Inf Model
. 2024 Jun;
64(13):4991-5005.
PMID: 38920403
The ability to conduct effective high throughput screening (HTS) campaigns in drug discovery is often hampered by the detection of false positives in these assays due to small colloidally aggregating...
8.
Nesabi A, Kalayan J, Al-Rawashdeh S, Ghattas M, Bryce R
J Comput Aided Mol Des
. 2024 Mar;
38(1):11.
PMID: 38470532
Small colloidally aggregating molecules (SCAMs) can be problematic for biological assays in drug discovery campaigns. However, the self-associating properties of SCAMs have potential applications in drug delivery and analytical biochemistry....
9.
McMahon E, El-Sayed S, Green J, Hoyle C, FitzPatrick L, Jones E, et al.
iScience
. 2024 Feb;
27(2):108968.
PMID: 38327788
Excessive or aberrant NLRP3 inflammasome activation has been implicated in the progression and initiation of many inflammatory conditions; however, currently no NLRP3 inflammasome inhibitors have been approved for therapeutic use...
10.
Kalayan J, Ramzan I, Williams C, Bryce R, Burton N
J Comput Chem
. 2024 Jan;
45(14):1143-1151.
PMID: 38284556
Molecular simulations have become a key tool in molecular and materials design. Machine learning (ML)-based potential energy functions offer the prospect of simulating complex molecular systems efficiently at quantum chemical...