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Hydrogen bonding

Ligand-mediated and tertiary interactions cooperatively stabilize the P1 region in the guanine-sensing riboswitch

Christian A. Hanke, Holger Gohlke

Study of structural stability and damaging effect on membrane for four Aβ42 dimers

Wei Feng, Huimin Lei, Jiarui Si, Tao Zhang

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

Insights on the mechanism of action of immunostimulants in relation to their pharmacological potency. The effects of imidazoquinolines on TLR8

Carlos Kubli-Garfias, Ricardo Vázquez-Ramírez, Cynthia Trejo-Muñoz, Arturo Berber

Designing small molecules to target cryptic pockets yields both positive and negative allosteric modulators

Kathryn M. Hart, Katelyn E. Moeder, [ ... ], Gregory R. Bowman

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

Wei Li

Molecular dynamics analysis of the aggregation propensity of polyglutamine segments

Jingran Wen, Daniel R. Scoles, Julio C. Facelli

Oligopeptides as full-length New Delhi metallo-β-lactamase-1 (NDM-1) inhibitors

Bingzheng Shen, Chengliang Zhu, [ ... ], Yan Yu

The structural basis of a high affinity ATP binding ε subunit from a bacterial ATP synthase

Alexander Krah, Yasuyuki Kato-Yamada, Shoji Takada

Fast exploration of an optimal path on the multidimensional free energy surface

Changjun Chen

Water permeation through the internal water pathway in activated GPCR rhodopsin

Katsufumi Tomobe, Eiji Yamamoto, Kholmirzo Kholmurodov, Kenji Yasuoka

Low concentration DNA extraction and recovery using a silica solid phase

Constantinos Katevatis, Andy Fan, Catherine M. Klapperich

A prion-like mechanism for the propagated misfolding of SOD1 from in silico modeling of solvated near-native conformers

Eamonn F. Healy

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