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Evaluation of molecular modelling methods to predict the sequence-selectivity of DNA minor groove binding ligandsHAO WANG; LAUGHTON, Charles A.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, pp 10722-10728, issn 1463-9076, 7 p.Article

The inhibitory effects of vinylphosphonate-linked thymidine dimers on the unidirectional translocation of PcrA helicase along DNA: a molecular modelling studyHAO WANG; LAUGHTON, Charles A.PCCP. Physical chemistry chemical physics (Print). 2012, Vol 14, Num 35, pp 12230-12237, issn 1463-9076, 8 p.Article

Nucleic acid simulationsLAUGHTON, Charles A; OROZCO, Modesto.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, issn 1463-9076, 203 p.Serial Issue

Stabilization of radical anion states of nucleobases in DNAVOITYUK, Alexander A.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, pp 10608-10613, issn 1463-9076, 6 p.Article

Molecular Dynamics Simulations of the Adenosine A2a Receptor: Structural Stability, Sampling, and ConvergenceHUI WEN NG; LAUGHTON, Charles A; DOUGHTY, Stephen W et al.Journal of chemical information and modeling. 2013, Vol 53, Num 5, pp 1168-1178, issn 1549-9596, 11 p.Article

Simulation of DNA catenanesVOLOGODSKII, Alexander; RYBENKOV, Valentin V.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, pp 10543-10552, issn 1463-9076, 10 p.Article

Simulation of DNA double-strand dissociation and formation during replica-exchange molecular dynamics simulationsKANNAN, Srinivasaraghavan; ZACHARIAS, Martin.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, pp 10589-10595, issn 1463-9076, 7 p.Article

Molecular simulation of conformational transitions in biomolecules using a combination of structure-based potential and empirical valence bond theoryDE MARCO, Giuseppe; VARNAI, Péter.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, pp 10694-10700, issn 1463-9076, 7 p.Article

Self-organised criticality in base-pair breathing in DNA with a defectDUDUIALA, Ciprian-Ionuţ; WATTIS, Jonathan A. D; LAUGHTON, Charles A et al.Physica. D. 2011, Vol 240, Num 16, pp 1254-1261, issn 0167-2789, 8 p.Article

Mesoscale simulations of two nucleosome-repeat length oligonucleosomesSCHLICK, Tamar; PERISIC, Ognjen.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, pp 10729-10737, issn 1463-9076, 9 p.Article

The impact of monovalent ion force field model in nucleic acids simulationsNOY, Agnes; SOTERAS, Ignacio; LUQUE, F. Javier et al.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, pp 10596-10607, issn 1463-9076, 12 p.Article

Antitumor polycyclic acridines. Part 16. Triplex DNA as a target for DNA-binding polycyclic acridine derivativesMISSAILIDIS, Sotiris; MODI, Chetna; TRAPANI, Valentina et al.Oncology research. 2005, Vol 15, Num 2, pp 95-105, issn 0965-0407, 11 p.Article

Charge transfer equilibria of aqueous single stranded DNAD'ABRAMO, Marco; ASCHI, Massimiliano; AMADEI, Andrea et al.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, pp 10614-10618, issn 1463-9076, 5 p.Article

A method for radioprobing DNA structures using Auger electronsNIKJOO, Hooshang; LAUGHTON, Charles A; TERRISSOL, Michel et al.International journal of radiation biology (Print). 2000, Vol 76, Num 12, pp 1607-1615, issn 0955-3002Article

Structural ultrafast dynamics of macromolecules: diffraction of free DNA and effect of hydrationLIN, Milo M; SHOROKHOV, Dmitry; ZEWAIL, Ahmed H et al.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, pp 10619-10632, issn 1463-9076, 14 p.Article

Relaxation dynamics of nucleosomal DNAPONOMAREV, Sergei Y; PUTKARADZE, Vakhtang; BISHOP, Thomas C et al.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, pp 10633-10643, issn 1463-9076, 11 p.Article

Structural studies on bioactive compounds. 34. Design, synthesis, and biological evaluation of triazenyl-substituted pyrimethamine inhibitors of pneumocystis carinii dihydrofolate reductaseCHAN, David C. M; LAUGHTON, Charles A; QUEENER, Sherry F et al.Journal of medicinal chemistry (Print). 2001, Vol 44, Num 16, pp 2555-2564, issn 0022-2623Article

Antitumor polycyclic acridines. Part 12. Physical and biological properties of 8,13-diethyl-6-methylquino[4,3,2-kl]acridinium iodide: A lead compound in anticancer drug designMISSAILIDIS, Sotiris; STANSLAS, Johnson; MODI, Chetna et al.Oncology research. 2002, Vol 13, Num 3, pp 175-189, issn 0965-0407, 15 p.Article

Viral assembly: a molecular modeling perspectiveHARVEY, Stephen C; PETROV, Anton S; DEVKOTA, Batsal et al.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, pp 10553-10564, issn 1463-9076, 12 p.Article

Acquired Resistance to Temozolomide in Glioma Cell Lines: Molecular Mechanisms and Potential Translational ApplicationsJIHONG ZHANG; STEVENS, Malcolm F. G; LAUGHTON, Charles A et al.Oncology. 2010, Vol 78, Num 2, pp 103-114, issn 0030-2414, 12 p.Article

Dynamics of a fluorophore attached to superhelical DNA: FCS experiments simulated by Brownian dynamicsWOCJAN, Tomasz; KRIEGER, Jan; KRICHEVSKY, Oleg et al.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, pp 10671-10681, issn 1463-9076, 11 p.Article

Dependence of A-RNA simulations on the choice of the force field and salt strengthBESSEOVA, Ivana; OTYEPKA, Michal; REBLOVA, Kamila et al.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, pp 10701-10711, issn 1463-9076, 11 p.Article

Structural studies on bioactive compounds. Part 36: Design, synthesis and biological evaluation of pyrimethamine-based antifolates against Pneumocystis cariniiCHAN, David C. M; LAUGHTON, Charles A; QUEENER, Sherry F et al.Bioorganic & medicinal chemistry. 2002, Vol 10, Num 9, pp 3001-3011, issn 0968-0896Article

Distribution of strand breaks produced by Auger electrons in decay of 125I in triplex DNANIKJOO, Hooshang; PANYUTIN, Igor G; TERRISSOL, Michel et al.Acta oncologica (Stockholm). 2000, Vol 39, Num 6, pp 707-712, issn 0284-186XConference Paper

A detailed binding free energy study of 2: 1 ligand-DNA complex formation by experiment and simulationTREESUWAN, Witcha; WITTAYANARAKUL, Kitiyaporn; ANTHONY, Nahoum G et al.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 45, pp 10682-10693, issn 1463-9076, 12 p.Article

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