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Showing 1 to 12 of 40729 entries
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HOOK: a program for finding novel molecular architectures that satisfy the chemical and steric requirements of a macromolecule binding site

program design

Eisen MB.
GSID: 82nwX_ZWl8gJ
MB Eisen, DC Wiley, M Karplus… - … Structure, Function, and …, 1994 - Wiley Online Library

A program (HOOK) is described for generating potential ligands that satisfy the chemical and steric requirements of the binding region of a macromolecule. Functional group sites with …

SPLICE: a program to assemble partial query solutions from three-dimensional database searches into novel ligands

program design

Marshall GR.
GSID: LD-BtEGdW-cJ
CMW Ho, GR Marshall - Journal of Computer-Aided Molecular Design, 1993 - Springer

SPLICE is a program that processes partial query solutions retrieved from 3D, structural databases to generate novel, aggregate ligands. It is designed to interface with the database …

Discovery of small molecule ligands for MALAT1 by tuning an RNA‐binding scaffold

STEM and diversify

Donlic A, Morgan BS.
GSID: Ag7uFH3Bm80J
A Donlic, BS Morgan, JL Xu, A Liu… - Angewandte …, 2018 - Wiley Online Library

… with ≈3-fold selectivity as compared to the stem loop (Figure 1 c). … To quickly diversify the scaffolds, we utilized eleven … element (RRE) stem loop IIB, a shorter stem-loop construct that …

Recommendations for evaluation of computational methods

evaluation

Jain AN.
GSID: cHkQ008z2iEJ
AN Jain, A Nicholls - Journal of computer-aided molecular design, 2008 - Springer

The field of computational chemistry, particularly as applied to drug design, has become increasingly important in terms of the practical application of predictive modeling to pharmaceutical research and development. Tools for exploiting protein structures or sets of ligands

LigBuilder: a multi-purpose program for structure-based drug design

program design

Wang R, Lai L.
GSID: in9PvTs_w8sJ
R Wang, Y Gao, L Lai - Molecular modeling annual, 2000 - Springer

… drug design community. In this paper, we will describe a new program, LigBuilder, which has been developed for structure-based drug design. … The program provides growing and linking strategies to build up ligands and the whole construction process...

Emerging roles of Wnts in the adult nervous system

adult

Inestrosa NC.
GSID: SMrS9Bcgk-wJ
NC Inestrosa, E Arenas - Nature Reviews Neuroscience, 2010 - nature.com

… in the rat hippocampus of adult animals 9 . … in adult mice 12 and in the modulation of synaptic plasticity: activity-regulated secretion of Wnt ligands induces long-term potentiation in adult …

Higher education and unemployment in Europe: an analysis of the academic subject and national effects

discipline specific-education (e.g., chemistry education, biology education, economics education)

Núñez I, Livanos I.
GSID: Z2XTcPO8jZQJ
I Núñez, I Livanos - Higher Education, 2010 - Springer

… eg, United Kingdom, Norway), while the searching period is longer in others (eg, Spain, Italy). The present paper investigates the effect of higher education … Due to the raise of precarious employment and the weakness of economic growth,...

Functionalization of a metal-organic framework semiconductor for tuned band structure and catalytic activity

EPSCoR Research Infrastructure Improvement Program AND Program Evaluation

Bright J, Li J, Musho T, Wu N.
GSID: HVdI0VZAhkAJ
J Li, T Musho, J Bright, N Wu - Journal of The Electrochemical …, 2018 - iopscience.iop.org

This study presents two strategies to modify the thermally stable crystalline UiO-66 (Zr) metal-organic framework (MOF) structure, in which the organic struts have been functionalized to modulate the electronic band structure and the catalytic activity toward selective oxidation of...

Aqueous and ethanolic Valeriana officinalis extracts change the binding of ligands to glutamate receptors

Louis Stokes Alliances for Minority Participation AND Program Evaluation

[No authors listed]
GSID: nPc82uXcSY8J
D Valle-Mojica, M Lisa… - Evidence-Based …, 2011 - hindawi.com

The effects of two valerian extracts (aqueous and hydroalcoholic) were investigated through [3 H] Glutamate ([3 H] Glu) and [3 H] Fluorowillardine ([3 H] FW) receptor binding assays using rat synaptic membranes in presence of different receptor ligands. In...

Electronic Effects in Multidentate Pyridinol and N-Heterocyclic Carbene Based Ligands for Transition Metal Catalyzed Carbon Dioxide Reduction

EPSCoR Research Infrastructure Improvement Program: Bridging EPSCoR Communities AND Program Evaluation

Boudreaux CM.
GSID: ch2xEm1YD4gJ
CM Boudreaux - 2021 - search.proquest.com

The design of new catalysts with high catalytic efficiency and robustness towards carbon dioxide (CO 2) reduction is of paramount importance. A full understanding of the requirements for creating a catalyst of this type is a missing gap in...

Hydrogen-bond-supported dimeric boron complexes of potentially tetradentate β-diketiminate ligands.

Dalton transactions (Cambridge, England : 2003)

Barbon SM, Staroverov VN, Boyle PD, Gilroy JB.
PMID: 24096386
Dalton Trans. 2014 Jan 07;43(1):240-50. doi: 10.1039/c3dt52188e.

Two dimeric boron complexes of potentially tetradentate and trianionic β-diketiminate ligands bearing phenol substituents were prepared and characterized. The synthetic routes employed were designed to circumvent the undesirable formation of β-ketimines and 2-methylbenzoxazoles observed when traditional synthetic routes toward...

First pre-functionalised polymeric aromatic framework from mononitrotetrakis(iodophenyl)methane and its applications.

Chemistry (Weinheim an der Bergstrasse, Germany)

Verde-Sesto E, Pintado-Sierra M, Corma A, Maya EM, de la Campa JG, Iglesias M, Sánchez F.
PMID: 24623578
Chemistry. 2014 Apr 22;20(17):5111-20. doi: 10.1002/chem.201304163. Epub 2014 Mar 12.

Starting from mononitrotetrakis(iodophenyl)methane as monomer, we report the preparation of the first pre-functionalised porous aromatic frameworks (PAFs) and their application as supports for organometallic catalysts. Neutral coordinate imino-pyridine Schiff base (PAF-NPy) or chiral bis-amino (PAF-NPro) ligands were obtained by...

Showing 1 to 12 of 40729 entries