Richard A Bryce

Scopus Author ID ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2015-2024
Publications (10 Years): 20

Top Topics

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

Journal of computational chemistry

Journal of computer-aided molecular design

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Azam Nesabi, Jas Kalayan, Sara Al-Rawashdeh, Mohammad A Ghattas, Richard A Bryce
Molecular dynamics simulations as a guide for modulating small molecule aggregation. Journal of computer-aided molecular design 38 (1) (2024)
Azam Nesabi, Jas Kalayan, Sara Al-Rawashdeh, Mohammad A Ghattas, Richard A Bryce
Molecular dynamics simulations as a guide for modulating small molecule aggregation. Journal of computer-aided molecular design 38 (1) (2024)
Jas Kalayan, Ismaeel Ramzan, Christopher D Williams, Richard A Bryce, Neil A Burton
A neural network potential based on pairwise resolved atomic forces and energies. Journal of computational chemistry (2024)
Jas Kalayan, Ismaeel Ramzan, Christopher D Williams, Richard A Bryce, Neil A Burton
A neural network potential based on pairwise resolved atomic forces and energies. Journal of computational chemistry (2024)
Abdallah Abou Hajal, Richard A Bryce, Boulbaba Ben Amor, Noor Atatreh, Mohammad A Ghattas
Boosting the Accuracy and Chemical Space Coverage of the Detection of Small Colloidal Aggregating Molecules Using the BAD Molecule Filter. Journal of chemical information and modeling (2024)
Azam Nesabi, Jas Kalayan, Sara Al-Rawashdeh, Mohammad A Ghattas, Richard A Bryce
Molecular dynamics simulations as a guide for modulating small molecule aggregation. Journal of computer-aided molecular design 38 (1) (2024)
Christopher D Williams, Jas Kalayan, Neil A Burton, Richard A Bryce
Stable and accurate atomistic simulations of flexible molecules using conformationally generalisable machine learned potentials. Chemical science 15 (32) (2024)
Christopher D Williams, Jas Kalayan, Neil A Burton, Richard A Bryce
Stable and accurate atomistic simulations of flexible molecules using conformationally generalisable machine learned potentials. Chemical science 15 (32) (2024)
Abdallah Abou Hajal, Richard A Bryce, Boulbaba Ben Amor, Noor Atatreh, Mohammad A Ghattas
Boosting the Accuracy and Chemical Space Coverage of the Detection of Small Colloidal Aggregating Molecules Using the BAD Molecule Filter. Journal of chemical information and modeling 64 (13) (2024)
Jas Kalayan, Ismaeel Ramzan, Christopher D Williams, Richard A Bryce, Neil A Burton
A neural network potential based on pairwise resolved atomic forces and energies. Journal of computational chemistry 45 (14) (2024)
Sherihan El-Sayed, Sally Freeman, Richard A Bryce
Probing the effect of NEK7 and cofactor interactions on dynamics of NLRP3 monomer using molecular simulation. Protein science : a publication of the Protein Society 31 (10) (2022)
Linghan Kong, Richard A Bryce
Modeling pyranose ring pucker in carbohydrates using machine learning and semi-empirical quantum chemical methods. Journal of computational chemistry 43 (30) (2022)
Mai A Elhemely, Asma A Belgath, Sherihan El-Sayed, Kepa K Burusco, Manikandan Kadirvel, Annalisa Tirella, Katherine Finegan, Richard A Bryce, Ian J Stratford, Sally Freeman
SAR of Novel 3-Arylisoquinolinones: meta -Substitution on the Aryl Ring Dramatically Enhances Antiproliferative Activity through Binding to Microtubules. Journal of medicinal chemistry 65 (6) (2022)
Ebru Aksanoglu, Yee Hwee Lim, Richard A Bryce
Direct Deoxydehydration of Cyclic trans-Diol Substrates: An Experimental and Computational Study of the Reaction Mechanism of Vanadium(V)-based Catalysis*. ChemSusChem 14 (6) (2021)
Mohammad A Ghattas, Sara Al Rawashdeh, Noor Atatreh, Richard A Bryce
How Do Small Molecule Aggregates Inhibit Enzyme Activity? A Molecular Dynamics Study. Journal of chemical information and modeling 60 (8) (2020)
Irfan Alibay, Richard A Bryce
Ring Puckering Landscapes of Glycosaminoglycan-Related Monosaccharides from Molecular Dynamics Simulations. Journal of chemical information and modeling 59 (11) (2019)
Deekshi Angira, Rupesh Chikhale, Kapilkumar Mehta, Richard A Bryce, Vijay Thiruvenkatam
Tracing the GSAP-APP C-99 Interaction Site in the β-Amyloid Pathway Leading to Alzheimer's Disease. ACS chemical neuroscience 10 (8) (2019)
Clare F Megarity, Hoda Abdel-Aal Bettley, M Clare Caraher, Katherine A Scott, Roger C Whitehead, Thomas A Jowitt, Aldo Gutierrez, Richard A Bryce, Karen A Nolan, Ian J Stratford, David J Timson
Negative Cooperativity in NAD(P)H Quinone Oxidoreductase 1 (NQO1). Chembiochem : a European journal of chemical biology 20 (22) (2019)
Irfan Alibay, Kepa K Burusco, Neil J Bruce, Richard A Bryce
Identification of Rare Lewis Oligosaccharide Conformers in Aqueous Solution Using Enhanced Sampling Molecular Dynamics. The journal of physical chemistry. B 122 (9) (2018)
Kepa K Burusco, Neil J Bruce, Irfan Alibay, Richard A Bryce
Free Energy Calculations using a Swarm-Enhanced Sampling Molecular Dynamics Approach. Chemphyschem : a European journal of chemical physics and physical chemistry 16 (15) (2015)