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C. Laughton · SciRah

Researcher profile · Semantic Scholar

C. Laughton

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C. Laughton — researcher profile on SciRah

h-index: 43
Works: 181
Citations: 9,183

Most-cited papers

Refinement of the AMBER Force Field for Nucleic Acids: Improving the Description of α/γ Conformers
Alberto Pérez, I. Marchán, D. Svozil, J. Šponer +3 more
20072,021 citations Open access
Semantic Scholar
PARMBSC1: A REFINED FORCE-FIELD FOR DNA SIMULATIONS
Iván Ivani, P. Dans, A. Noy, Alberto Pérez +15 more
2015Nature Methods1,028 citations Open access
Semantic Scholar
Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformers.
Alberto Pérez, I. Marchán, D. Svozil, J. Šponer +3 more
2007Biophysical Journal550 citations
Semantic Scholar
A systematic molecular dynamics study of nearest-neighbor effects on base pair and base pair step conformations and fluctuations in B-DNA
R. Lavery, K. Zakrzewska, D. Beveridge, T. Bishop +14 more
2009Nucleic Acids Research321 citations Open access
Semantic Scholar
μABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA
M. Pasi, J. Maddocks, D. Beveridge, T. Bishop +15 more
2014Nucleic Acids Research202 citations Open access
Semantic Scholar
Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity
D. Huggins, P. Biggin, M. A. Dämgen, J. Essex +10 more
2018WIREs Computational Molecular Science152 citations Open access
Semantic Scholar
Essential Dynamics: A Tool for Efficient Trajectory Compression and Management.
T. Meyer, Carles Ferrer-Costa, Alberto Pérez, Manuel Rueda +4 more
2006Journal of Chemical Theory and Computation118 citations
Semantic Scholar
Atomistic simulations reveal bubbles, kinks and wrinkles in supercoiled DNA
J. Mitchell, C. Laughton, S. Harris
2011Nucleic Acids Research108 citations Open access
Semantic Scholar
Acquired Resistance to Temozolomide in Glioma Cell Lines: Molecular Mechanisms and Potential Translational Applications
Ji-Hong Zhang, M. Stevens, C. Laughton, S. Madhusudan +1 more
2010Oncology106 citations
Semantic Scholar
Antitumor polycyclic acridines. 20. Search for DNA quadruplex binding selectivity in a series of 8,13-dimethylquino[4,3,2-kl]acridinium salts: telomere-targeted agents.
Mai-Kim Cheng, Chetna Modi, J. Cookson, I. Hutchinson +8 more
2008Journal of Medicinal Chemistry76 citations
Semantic Scholar
Mapping the phase diagram of the writhe of DNA nanocircles using atomistic molecular dynamics simulations
S. Harris, C. Laughton, T. Liverpool
2007Nucleic Acids Research76 citations Open access
Semantic Scholar
Design, synthesis, and biophysical and biological evaluation of a series of pyrrolobenzodiazepine-poly(N-methylpyrrole) conjugates.
G. Wells, Christopher R. H. Martin, P. Howard, Z. Sands +11 more
2006Journal of Medicinal Chemistry76 citations
Semantic Scholar
Conformational dynamics of the human propeller telomeric DNA quadruplex on a microsecond time scale
Barira Islam, M. Sgobba, C. Laughton, M. Orozco +3 more
2013Nucleic Acids Research71 citations Open access
Semantic Scholar
Theoretical study of large conformational transitions in DNA: the B↔A conformational change in water and ethanol/water
A. Noy, Alberto Pérez, C. Laughton, M. Orozco
2007Nucleic Acids Research68 citations Open access
Semantic Scholar
In Silico Screening for Solid Dispersions: The Trouble with Solubility Parameters and χFH.
Eleanor Turpin, Vincenzo Taresco, Wathiq Al-hachami, J. Booth +6 more
2018Molecular Pharmaceutics60 citations Open access
Semantic Scholar
BioSimSpace: An interoperable Python framework for biomolecular simulation
L. Hedges, A. Mey, C. Laughton, F. Gervasio +3 more
2019Journal of Open Source Software55 citations Open access
Semantic Scholar
Long-range correlations in the mechanics of small DNA circles under topological stress revealed by multi-scale simulation
Thana Sutthibutpong, C. Matek, C. Benham, G. G. Slade +5 more
2016Nucleic Acids Research55 citations Open access
Semantic Scholar
Molecular Dynamics Simulations of the Adenosine A2a Receptor: Structural Stability, Sampling, and Convergence
Hui W. Ng, C. Laughton, S. Doughty
2013Journal of Chemical Information and Modeling50 citations
Semantic Scholar
pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data
Ardita Shkurti, J. R. Goñi, P. Andrio, E. Breitmoser +3 more
2016SoftwareX49 citations Open access
Semantic Scholar
Conversion of a non-selective adenosine receptor antagonist into A3-selective high affinity fluorescent probes using peptide-based linkers.
A. Vernall, Leigh A. Stoddart, S. Briddon, Hui W. Ng +4 more
2013Organic and biomolecular chemistry44 citations Open access
Semantic Scholar
Functional interplay of DnaE polymerase, DnaG primase and DnaC helicase within a ternary complex, and primase to polymerase hand-off during lagging strand DNA replication in Bacillus subtilis
Olivier Rannou, E. Le Chatelier, Marilynn A. Larson, Hamid Nouri +4 more
2013Nucleic Acids Research41 citations Open access
Semantic Scholar
Sequence-dependent structural properties of B-DNA: what have we learned in 40 years?
Gabriela da Rosa, Leandro Grille, Victoria Calzada, Katya Ahmad +22 more
2021Biophysical Reviews39 citations Open access
Semantic Scholar
Multiscale modeling of drug-polymer nanoparticle assembly identifies parameters influencing drug encapsulation efficiency.
Robert Mackenzie, J. Booth, C. Alexander, M. Garnett +1 more
2015Journal of Chemical Theory and Computation34 citations Open access
Semantic Scholar
Molecular Dynamics Simulations of the Adenosine A2a Receptor in POPC and POPE Lipid Bilayers: Effects of Membrane on Protein Behavior
Hui W. Ng, C. Laughton, S. Doughty
2014Journal of Chemical Information and Modeling34 citations
Semantic Scholar
Cytochrome P450 Cyp4x1 is a major P450 protein in mouse brain
M. Al-anizy, Neill J. Horley, C. S. Kuo, Lorna C. Gillett +5 more
2006The FEBS Journal34 citations
Semantic Scholar
Long-timescale molecular-dynamics simulations of the major urinary protein provide atomistic interpretations of the unusual thermodynamics of ligand binding.
J. Roy, C. Laughton
2010Biophysical Journal32 citations Open access
Semantic Scholar
GLIMPS: A Machine Learning Approach to Resolution Transformation for Multiscale Modeling.
Keverne A Louison, I. Dryden, C. Laughton
2021Journal of Chemical Theory and Computation31 citations Open access
Semantic Scholar
Certain Imidazotetrazines Escape O6-Methylguanine-DNA Methyltransferase and Mismatch Repair
Ji-Hong Zhang, M. Stevens, M. Hummersone, S. Madhusudan +2 more
2011Oncology30 citations Open access
Semantic Scholar
Molecular modelling methods for prediction of sequence-selectivity in DNA recognition.
Hao Wang, C. Laughton
2007Methods28 citations
Semantic Scholar
Experimental study and computational modelling of cruzain cysteine protease inhibition by dipeptidyl nitriles.
A. M. dos Santos, Lorenzo Cianni, D. de Vita, Fabiana Rosini +4 more
2018Physical Chemistry, Chemical Physics - PCCP26 citations Open access
Semantic Scholar
ExTASY: Scalable and flexible coupling of MD simulations and advanced sampling techniques
V. Balasubramanian, I. Bethune, Ardita Shkurti, E. Breitmoser +4 more
2016IEEE International Conference on e-Science26 citations Open access
Semantic Scholar
In Vitro Antitumor Mechanism of (E)-N-(2-methoxy-5-(((2,4,6-trimethoxystyryl)sulfonyl)methyl)pyridin-3-yl)methanesulfonamide
Tiangong Lu, C. Laughton, Shu-Dong Wang, T. Bradshaw
2015Molecular Pharmacology25 citations Open access
Semantic Scholar
Structure of Mycobacterium tuberculosis thioredoxin C.
G. Hall, M. Shah, P. McEwan, C. Laughton +3 more
2006Acta Crystallographica Section D: Biological Crystallography24 citations Open access
Semantic Scholar
New N-acyl amino acid-functionalized biodegradable polyesters for pharmaceutical and biomedical applications
Vincenzo Taresco, J. Suksiriworapong, I. Styliari, R. Argent +7 more
201623 citations Open access
Semantic Scholar
Active Site Pressurization: A New Tool for Structure-Guided Drug Design and Other Studies of Protein Flexibility
Ian M. Withers, Michael P. Mazanetz, Hao Wang, P. Fischer +1 more
2008Journal of Chemical Information and Modeling23 citations
Semantic Scholar
CoCo-MD: A Simple and Effective Method for the Enhanced Sampling of Conformational Space.
Ardita Shkurti, I. Styliari, V. Balasubramanian, I. Bethune +3 more
2019Journal of Chemical Theory and Computation21 citations Open access
Semantic Scholar
The levels of telomere-binding proteins in human tumours and therapeutic implications.
J. Cookson, C. Laughton
2009European Journal of Cancer21 citations
Semantic Scholar
Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors
O. Di Pietro, J. Juárez-Jiménez, D. Muñoz-Torrero, C. Laughton +1 more
2017PLoS ONE20 citations Open access
Semantic Scholar
Quality Assurance for Biomolecular Simulations.
S. Murdock, Kai-Hsu Tai, M. Ng, Steven J. Johnston +5 more
2006Journal of Chemical Theory and Computation20 citations Open access
Semantic Scholar
Auger electrons--a nanoprobe for structural, molecular and cellular processes.
H. Nikjoo, P. Girard, D. E. Charlton, K. Hofer +1 more
2006Radiation Protection Dosimetry20 citations
Semantic Scholar
Destabilization of DNA duplexes by oxidative damage at guanine: implications for lesion recognition and repair
Supat Jiranusornkul, C. Laughton
2008Journal of the Royal Society Interface19 citations Open access
Semantic Scholar
Rapid Nanogram Scale Screening Method of Microarrays to Evaluate Drug-Polymer Blends Using High-Throughput Printing Technology.
Vincenzo Taresco, Iria Louzao, D. Scurr, J. Booth +7 more
2017Molecular Pharmaceutics18 citations Open access
Semantic Scholar
A Comprehensive Model for the Recognition of Human Telomeres by TRF1
Michael Garton, C. Laughton
2013Journal of Molecular Biology17 citations Open access
Semantic Scholar
Structure of Mycobacterium tuberculosis thioredoxin in complex with quinol inhibitor PMX464
G. Hall, T. Bradshaw, C. Laughton, M. F. Stevens +1 more
2011Protein Science16 citations Open access
Semantic Scholar
Nanoformulation-by-design: an experimental and molecular dynamics study for polymer coated drug nanoparticles
I. Styliari, Vincenzo Taresco, A. Theophilus, C. Alexander +2 more
2020RSC Advances14 citations Open access
Semantic Scholar
Investigation of the Flexibility of Protein Kinases Implicated in the Pathology of Alzheimer’s Disease
Michael P. Mazanetz, C. Laughton, P. Fischer
2014Molecules14 citations Open access
Semantic Scholar
Development of a series of bis-triazoles as G-quadruplex ligands
Maysaa M. Saleh, C. Laughton, T. Bradshaw, C. Moody
201713 citations Open access
Semantic Scholar
Fast Atomistic Molecular Dynamics Simulations from Essential Dynamics Samplings.
Oliver Carrillo, C. Laughton, M. Orozco
2012Journal of Chemical Theory and Computation13 citations Open access
Semantic Scholar
Nonlinear breathing modes at a defect site in DNA.
Ciprian-Ionuţ Duduială, J. Wattis, I. Dryden, C. Laughton
2009Physical review. E, Statistical, nonlinear, and soft matter physics13 citations
Semantic Scholar
Design, Synthesis, and Application of Fluorescent Ligands Targeting the Intracellular Allosteric Binding Site of the CXC Chemokine Receptor 2
B. M. Casella, James P. Farmer, Desislava Nesheva, H. Williams +4 more
2023Journal of Medicinal Chemistry12 citations Open access
Semantic Scholar

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