Neil J. Bruce
Title
Cited by
Cited by
Year
Prediction of homoprotein and heteroprotein complexes by protein docking and template‐based modeling: A CASP‐CAPRI experiment
MF Lensink, S Velankar, A Kryshtafovych, SY Huang, ...
Proteins: Structure, Function, and Bioinformatics 84 (S1), 323-348, 2016
972016
New approaches for computing ligand–receptor binding kinetics
NJ Bruce, GK Ganotra, DB Kokh, SK Sadiq, RC Wade
Current opinion in structural biology 49, 1-10, 2018
582018
SDA 7: A modular and parallel implementation of the simulation of diffusional association software
M Martinez, NJ Bruce, J Romanowska, DB Kokh, M Ozboyaci, X Yu, ...
Journal of computational chemistry 36 (21), 1631-1645, 2015
372015
Molecular dynamics simulations of Aβ fibril interactions with β-sheet breaker peptides
NJ Bruce, D Chen, SG Dastidar, GE Marks, CH Schein, RA Bryce
Peptides 31 (11), 2100-2108, 2010
262010
Molecular dynamics simulations of Aβ fibril interactions with β-sheet breaker peptides
NJ Bruce, D Chen, SG Dastidar, GE Marks, CH Schein, RA Bryce
Peptides 31 (11), 2100-2108, 2010
262010
Exploring protein kinase conformation using swarm-enhanced sampling molecular dynamics
A Atzori, NJ Bruce, KK Burusco, B Wroblowski, P Bonnet, RA Bryce
Journal of chemical information and modeling 54 (10), 2764-2775, 2014
132014
Ab Initio Protein Folding Using a Cooperative Swarm of Molecular Dynamics Trajectories
NJ Bruce, RA Bryce
Journal of chemical theory and computation 6 (7), 1925-1930, 2010
122010
Free Energy Calculations using a Swarm‐Enhanced Sampling Molecular Dynamics Approach
KK Burusco, NJ Bruce, I Alibay, RA Bryce
ChemPhysChem 16 (15), 3233-3241, 2015
92015
Identification of rare Lewis oligosaccharide conformers in aqueous solution using enhanced sampling molecular dynamics
I Alibay, KK Burusco, NJ Bruce, RA Bryce
The Journal of Physical Chemistry B 122 (9), 2462-2474, 2018
82018
Influence of transmembrane helix mutations on cytochrome P450-membrane interactions and function
G Mustafa, PP Nandekar, TJ Camp, NJ Bruce, MC Gregory, SG Sligar, ...
Biophysical journal 116 (3), 419-432, 2019
72019
webSDA: a web server to simulate macromolecular diffusional association
X Yu, M Martinez, AL Gable, JC Fuller, NJ Bruce, S Richter, RC Wade
Nucleic acids research 43 (W1), W220-W224, 2015
62015
Differing Membrane Interactions of Two Highly Similar Drug-Metabolizing Cytochrome P450 Isoforms: CYP 2C9 and CYP 2C19
G Mustafa, PP Nandekar, NJ Bruce, RC Wade
International journal of molecular sciences 20 (18), 4328, 2019
22019
KBbox: A Toolbox of Computational Methods for Studying the Kinetics of Molecular Binding
NJ Bruce, GK Ganotra, S Richter, RC Wade
Journal of chemical information and modeling 59 (9), 3630-3634, 2019
12019
Regulation of adenylyl cyclase 5 in striatal neurons confers the ability to detect coincident neuromodulatory signals
NJ Bruce, D Narzi, D Trpevski, SC Van Keulen, AG Nair, U Röthlisberger, ...
BioRxiv, 597096, 2019
12019
Comparative electrostatic analysis of adenylyl cyclase for isoform dependent regulation properties
R Tong, RC Wade, NJ Bruce
Proteins: Structure, Function, and Bioinformatics 84 (12), 1844-1858, 2016
12016
Improved conformational search using a cooperative swarm of simulation replicas
NJ Bruce, RA Bryce
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011
2011
Constraining the kinetic parameters of signaling pathways through molecular-level modelling: isoform specific regulation of adenylyl cyclase.
NJ Bruce, R Tong, P Carloni, O Guitierrez-Arenas, JH Kotaleski, R Lavery, ...
Simulation of Diffusional Association 7 (SDA 7): Brownian Dynamics Simulations of Biomacromolecular Association
NJ Bruce, M Martinez, X Yu, J Romanowska, DB Kokh, M Oztürk, ...
Computational Trends in Solvation and Transport in Liquids, 39, 0
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Articles 1–18