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List of works by Neil J Bruce

Ab Initio Protein Folding Using a Cooperative Swarm of Molecular Dynamics Trajectories

scientific article published on 28 June 2010

Brownian Dynamics Simulations of Proteins in the Presence of Surfaces: Long-Range Electrostatics and Mean-Field Hydrodynamics

scientific article published on 30 March 2021

Comparative electrostatic analysis of adenylyl cyclase for isoform dependent regulation properties

scientific article

Exploring protein kinase conformation using swarm-enhanced sampling molecular dynamics

scientific article

Free Energy Calculations using a Swarm-Enhanced Sampling Molecular Dynamics Approach.

scientific article published on 29 September 2015

Identification of Rare Lewis Oligosaccharide Conformers in Aqueous Solution Using Enhanced Sampling Molecular Dynamics

scientific article

KBbox: A Toolbox of Computational Methods for Studying the Kinetics of Molecular Binding

scientific article published on 20 August 2019

Molecular dynamics simulations of Aβ fibril interactions with β-sheet breaker peptides ⬇️

scientific article published on August 4, 2010

New approaches for computing ligand-receptor binding kinetics.

scientific article published on 10 November 2017

Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment

scientific article

Regulation of adenylyl cyclase 5 in striatal neurons confers the ability to detect coincident neuromodulatory signals

scientific article published on 30 October 2019

SDA 7: A modular and parallel implementation of the simulation of diffusional association software

scientific article published on 29 June 2015

webSDA: a web server to simulate macromolecular diffusional association

scientific article published on 16 April 2015

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