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Molecular structure

In silico discovery of substituted pyrido[2,3-d]pyrimidines and pentamidine-like compounds with biological activity in myotonic dystrophy models

Àlex L. González, Piotr Konieczny, [ ... ], Rubén Artero

How do SMA-linked mutations of SMN1 lead to structural/functional deficiency of the SMA protein?

Wei Li

Targeting YAP/TAZ-TEAD protein-protein interactions using fragment-based and computational modeling approaches

Hung Yi Kristal Kaan, Adelene Y. L. Sim, [ ... ], Haiwei Song

Structural features of PhoX, one of the phosphate-binding proteins from Pho regulon of Xanthomonas citri

Vanessa R. Pegos, Rodrigo M. L. Santos, Francisco J. Medrano, Andrea Balan

SPR-based fragment screening with neurotensin receptor 1 generates novel small molecule ligands

Sylwia Huber, Fabio Casagrande, [ ... ], Michael Hennig

Structural and functional studies of ferredoxin and oxygenase components of 3-nitrotoluene dioxygenase from Diaphorobacter sp. strain DS2

Archana Kumari, Deepak Singh, S. Ramaswamy, Gurunath Ramanathan

Molecular simulations and Markov state modeling reveal the structural diversity and dynamics of a theophylline-binding RNA aptamer in its unbound state

Becka M. Warfield, Peter C. Anderson

Solid state characterization and theoretical study of non-linear optical properties of a Fluoro-N-Acylhydrazide derivative

Rosemberg F. N. Rodrigues, Leonardo R. Almeida, [ ... ], Basílio Baseia

Differential CLE peptide perception by plant receptors implicated from structural and functional analyses of TDIF-TDR interactions

Zhijie Li, Sayan Chakraborty, Guozhou Xu

Towards an efficient compression of 3D coordinates of macromolecular structures

Yana Valasatava, Anthony R. Bradley, [ ... ], Peter W. Rose

Structural basis for non-genuine phenolic acceptor substrate specificity of Streptomyces roseochromogenes prenyltransferase CloQ from the ABBA/PT-barrel superfamily

Carla Araya-Cloutier, Bianca Martens, [ ... ], Jean-Paul Vincken

Density functional theory study the effects of oxygen-containing functional groups on oxygen molecules and oxygen atoms adsorbed on carbonaceous materials

Xuejun Qi, Wenwu Song, Jianwei Shi

LipidFrag: Improving reliability of in silico fragmentation of lipids and application to the Caenorhabditis elegans lipidome

Michael Witting, Christoph Ruttkies, Steffen Neumann, Philippe Schmitt-Kopplin

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