نتایج جستجو برای: noncovalent interactions

تعداد نتایج: 389161  

Journal: :Journal of chemical information and computer sciences 2004
Éva Tüdos András Fiser Ágnes Simon Zsuzsanna Dosztányi Mónika Fuxreiter Csaba Magyar István Simon

Proteins are heteropolymers with evolutionary selected native sequences of residues. These native sequences code for unique and stable 3D structures indispensable for biochemical activity and for proteolysis resistance, the latter which guarantees an appropriate lifetime for the protein in the protease rich cellular environment. Cross-links between residues close in space but far in the primary...

2012
Iana M. Serafimova Miles A. Pufall Shyam Krishnan Katarzyna Duda Michael S. Cohen Rebecca L. Maglathlin Jesse M. McFarland Rand M. Miller Morten Frödin Jack Taunton

Targeting noncatalytic cysteine residues with irreversible acrylamide-based inhibitors is a powerful approach for enhancing pharmacological potency and selectivity. Nevertheless, concerns about off-target modification motivate the development of reversible cysteine-targeting strategies. Here we show that electron-deficient olefins, including acrylamides, can be tuned to react with cysteine thio...

Journal: :Chembiochem : a European journal of chemical biology 2004
Brian Bothner Gary Siuzdak

Electrospray ionization (ESI) and matrix-assisted laser desorption/ionization (MALDI) were the result of decades of research effort dedicated toward analyzing intact biomolecules. The practicality of these ionization methods fueled the explosion of mass spectrometry witnessed in the past decade. In fact, the widespread utility of ESI and MALDI led to the awarding of the 2002 Nobel prize in Chem...

2014
Bong June Zhang Taeseon Hwang Jae-Do Nam Jonghwan Suhr Kwang Jin Kim

Thermal management to prevent extreme heat surge in integrated electronic systems and nuclear reactors is a critical issue. To delay the thermal surge on the heater effectively, we report the benefit of a three dimensional nanotubular porous layer via noncovalent interactions (hydrophobic forces and hydrogen bonds). To observe the contribution of individual noncovalent interactions in a porous ...

Journal: :The Journal of chemical physics 2016
Kerwin Hui Jeng-Da Chai

By incorporating the nonempirical strongly constrained and appropriately normed (SCAN) semilocal density functional [J. Sun, A. Ruzsinszky, and J. P. Perdew, Phys. Rev. Lett. 115, 036402 (2015)] in the underlying expression of four existing hybrid and double-hybrid models, we propose one hybrid (SCAN0) and three double-hybrid (SCAN0-DH, SCAN-QIDH, and SCAN0-2) density functionals, which are fre...

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