Results 91 to 100 of about 6,218,927 (299)

Theoretical and computational chemistry aspects Chemical sciences in the focus ;, v. 3./ edited by Ponnadurai Ramasami.

open access: yes, 2021
Based on "The Virtual Conference on Chemistry and its Applications (VCCA-2020) - Research and Innovations in Chemical Sciences: Paving the Way Forward" held in August 2020 and organized by the Computational Chemistry Group of the University of Mauritius.
Ramasami Ponnadurai
core  

DNA ligase LigE increases bacterial transformation with damaged extracellular DNA

open access: yesFEBS Letters, EarlyView.
The DNA ligase LigE from the naturally competent Gram‐negative bacterium Neisseria gonorrhoaea increases transformation with cut extracellular DNA. This process is ATP‐dependent and relies on the catalytic activity of LigE; it also requires that LigE contains an intact periplasmic localisation sequence, indicating that ligE functions in the periplasm ...
Jolyn Pan   +4 more
wiley   +1 more source

NBO, chemical reactivity, thermodynamic properties and hyperpolarizability analysis of aristolochic acid II

open access: yesBibechana, 2016
Alkaloids are a group of naturally occurring chemical compounds and show immense potential of medicinal uses in traditional systems. In this work, a computational study on an alkaloid aristolochc acidid II (AA II) is presented using density functional ...
Bhawani Dutt Joshi
doaj  

Interaction of Tamoxifen Analogs With the Pocket Site of Some Hormone Receptors. A Molecular Docking and Density Functional Theory Study

open access: yesFrontiers in Chemistry, 2018
In this paper, the antiestrogenic properties of Tamoxifen analogs have been investigated and a theoretical report of its analogs interaction with the pocket site of some hormone receptors are presented.
Linda-Lucila Landeros-Martínez   +2 more
doaj   +1 more source

Identifying Chemical Reactivity Hazards: Preliminary Screening Method [PDF]

open access: yes, 2004
"The purpose of this alert is to introduce small and medium-sized facilities to a simple method developed by the Center for Chemical Process Safety (CCPS), to screen facilities for chemical reactivity hazards.
United States. Environmental Protection Agency. Office of Solid Waste and Emergency Response.
core  

Chemical Reactivity through Structure-Stability Landscape

open access: yes, 2014
International audienceThe reactivity descriptors like electronegativity, hardness, and electrophilicity, formulated on conceptual density functional theory can explain chemical reactivity of various acids and bases, oxidants and reductants as well as ...
Das, Ranjita   +2 more
core   +1 more source

Going viral − Virus‐targeting nanobodies for research, diagnostics and therapy

open access: yesFEBS Letters, EarlyView.
The increasing prevalence of viral diseases represents a major threat for global human health. Nanobodies, small binding fragments derived from camelid heavy‐chain antibodies, offer versatile tools for viral research, diagnostics, and antiviral therapy.
Domenic Ebert, Ulrich Rothbauer
wiley   +1 more source

Unlocking the potential of cell‐permeable nanobodies for intracellular applications

open access: yesFEBS Letters, EarlyView.
This review outlines current strategies for delivery of nanobodies into cells and highlights recent examples of functional applications. By addressing and manipulating intracellular targets, these molecules hold great potential for treating cancer, respiratory diseases and neurological disorders, making this a vibrant area of research in the biomedical
Mariona Gené‐Verdés   +2 more
wiley   +1 more source

ÍNDICES DE PODER ELECTROFÍLICO GLOBAL Y LOCAL PARA EL ESTUDIO TEÓRICO DE LA REACTIVIDAD QUÍMICA: APLICACIÓN A DERIVADOS CARBONILO α,β-INSATURADOS

open access: yesQuímica Nova
In this study two new global descriptors for chemical reactivity are proposed, namely the electrophilic power and nucleophilic power. These have been developed by performing the normalization of the local electrophilic power and local nucleophilic power ...
Said F. Figueredo   +2 more
doaj   +1 more source

How structural disorder and polyelectrolyte properties of prothymosin α enable its large interactome

open access: yesFEBS Letters, EarlyView.
In this review, complexes of the fully disordered and highly negatively charged prothymosin α are collected, described, and discussed. Linked to its poly‐electrostatic character, prothymosin α engages a large interactome through multiple different binding modes ranging from fully disordered complexes to short linear motif (SLiM)‐driven interactions ...
Ketty C. Tamburrini   +3 more
wiley   +1 more source

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