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List of works by Charles Laughton

A potential molecular switch in an alpha-helical coiled coil

scientific article published on 01 January 2008

A systematic molecular dynamics study of nearest-neighbor effects on base pair and base pair step conformations and fluctuations in B-DNA.

scientific article

Acquired resistance to temozolomide in glioma cell lines: molecular mechanisms and potential translational applications.

scientific article published on 31 March 2010

Active site pressurization: a new tool for structure-guided drug design and other studies of protein flexibility.

scientific article

An integrative biological approach to the analysis of tissue culture data: application to the antitumour agent RHPS4.

scientific article

Application of Drug-Perturbed Essential Dynamics/Molecular Dynamics (ED/MD) to Virtual Screening and Rational Drug Design

scientific article published on 26 June 2012

Ask the experts: focus on computational chemistry

scientific article published in June 2011

Atomistic simulations reveal bubbles, kinks and wrinkles in supercoiled DNA.

scientific article published on 18 January 2011

BioSimSpace: An interoperable Python framework for biomolecular simulation

scientific article published on 22 November 2019

COCO: A simple tool to enrich the representation of conformational variability in NMR structures

scientific article published on 01 April 2009

Certain imidazotetrazines escape O6-methylguanine-DNA methyltransferase and mismatch repair.

scientific article published on July 2011

CoCo-MD: A Simple and Effective Method for the Enhanced Sampling of Conformational Space

scientific article published on 05 March 2019

Conformational dynamics of the human propeller telomeric DNA quadruplex on a microsecond time scale.

scientific article

Conversion of a non-selective adenosine receptor antagonist into A3-selective high affinity fluorescent probes using peptide-based linkers.

scientific article published in September 2013

Covariance analysis for temporal data, with applications to DNA modelling

Development and evaluation of human AP endonuclease inhibitors in melanoma and glioma cell lines

scientific article

Evaluation of molecular modelling methods to predict the sequence-selectivity of DNA minor groove binding ligands

scientific article

Fast Atomistic Molecular Dynamics Simulations from Essential Dynamics Samplings

article

GLIMPS: A Machine Learning Approach to Resolution Transformation for Multiscale Modeling

scientific article published on 02 December 2021

GPCRs through the keyhole: the role of protein flexibility in ligand binding to β-adrenoceptors.

scientific article published on 17 August 2016

In Silico Screening for Solid Dispersions: The Trouble with Solubility Parameters and χFH

scientific article published on 04 September 2018

In vitro antitumor mechanism of (E)-N-(2-methoxy-5-(((2,4,6-trimethoxystyryl)sulfonyl)methyl)pyridin-3-yl)methanesulfonamide

scientific article published on 14 October 2014

Investigating the binding preferences of small molecule inhibitors of human protein arginine methyltransferase 1 using molecular modelling

scientific article published on 4 June 2014

Investigation of the flexibility of protein kinases implicated in the pathology of Alzheimer's disease.

scientific article

Ligand-induced conformational selection predicts the selectivity of cysteine protease inhibitors

scientific article published on 19 December 2019

Long-range correlations in the mechanics of small DNA circles under topological stress revealed by multi-scale simulation ⬇️

scientific article published on 22 September 2016

Molecular dynamics simulations of the adenosine A2a receptor in POPC and POPE lipid bilayers: effects of membrane on protein behavior

scientific article published on 07 February 2014

Molecular dynamics simulations of the adenosine A2a receptor: structural stability, sampling, and convergence.

scientific article

Molecular modelling methods to quantitate drug-DNA interactions.

scientific article published in January 2010

Multiscale modeling of drug-polymer nanoparticle assembly identifies parameters influencing drug encapsulation efficiency

scientific article published on 27 May 2015

Nonlinear breathing modes at a defect site in DNA.

scientific article published on 10 December 2009

Nucleic acid simulations themed issue

scientific article published on 02 November 2009

Poly(triazolyl methacrylate) glycopolymers as potential targeted unimolecular nanocarriers

scientific article published on 30 October 2019

Rapid Nanogram Scale Screening Method of Microarrays to Evaluate Drug-Polymer Blends Using High-Throughput Printing Technology

scientific article

Structure ofMycobacterium tuberculosisthioredoxin in complex with quinol inhibitor PMX464

scientific article

Synthetic lethal targeting of DNA double-strand break repair deficient cells by human apurinic/apyrimidinic endonuclease inhibitors

scientific article published on 28 March 2012

The effects of a telomere destabilizing agent on cancer cell-cycle dynamics--integrated modelling and experiments.

scientific article published on 18 November 2011

The fitness burden imposed by synthesising quorum sensing signals.

scientific article

The inhibitory effects of vinylphosphonate-linked thymidine dimers on the unidirectional translocation of PcrA helicase along DNA: a molecular modelling study

scientific article published on 06 August 2012

The study of interactions between DNA and PcrA DNA helicase by using targeted molecular dynamic simulations

scientific article published on 26 September 2013

Tios: The Internet of Simulations. Turning Molecular Dynamics into a Data Streaming Web Application

scientific article published on 12 August 2019

Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors.

scientific article

μABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA

scientific article

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