Results 91 to 100 of about 22,492,002 (302)

Conformational analysis and intramolecular interactions in monosubstituted phenylboranes and phenylboronic acids

Beilstein Journal of Organic Chemistry, 2013
A 1TSJF,H(O) coupling pathway, dictated by a hydrogen bond, in some 2-fluorobenzoic acids has been observed, while such an interaction does not occur in 2-fluorophenol. Thus, this work reports the conformational analysis of 2-fluorophenylboronic acid (1),
Josué M. Silla, Rodrigo A. Cormanich, Roberto Rittner, Matheus P. Freitas   +3 more
doaj   +1 more source

In vitro and in silico modelling of ROS1‐positive non‐small cell lung cancer reveals fusion‐dependent tyrosine kinase inhibitor responses

Molecular Oncology, EarlyView.
Drug resistance limits treatment success in a subset of lung cancers driven by ROS1 gene alterations. Using patient‐derived cells and computer simulations, we studied three key mutations and how they affect five targeted drugs. The mutations reduced drug effectiveness in different ways by altering protein structure and behavior.
Farhan Ul Haq, Marc Terrones, Felicia Rodrigues Fortes, Anne Schepers, Alessia Denis, Christophe Deben, Ken Op de Beeck, Guy Van Camp, Geert Vandeweyer   +8 more
wiley   +1 more source

Conformational Analysis

, 1965
xiii;524hal ...
Eliel Allinger Angyal Morrison
core  

CRANKITE: a fast polypeptide backbone conformation sampler [PDF]

, 2008
Background: CRANKITE is a suite of programs for simulating backbone conformations of polypeptides and proteins. The core of the suite is an efficient Metropolis Monte Carlo sampler of backbone conformations in continuous three-dimensional space in atomic
Wild, David L., David L Wild, Podtelezhnikov, Alexei A., Alexei A Podtelezhnikov   +3 more
core   +1 more source

The interplay of configuration and conformation in helical perylenequinones: Insights from chirality induction in liquid crystals and calculations

Beilstein Journal of Organic Chemistry, 2012
The chirality transfer in liquid crystals induced by two helical perylenequinones (namely, the natural compounds cercosporin and phleichrome) was investigated by integrating measurements of helical twisting power with a conformational analysis by DFT ...
Elisa Frezza, Silvia Pieraccini, Stefania Mazzini, Alberta Ferrarini, Gian Piero Spada   +4 more
doaj   +1 more source

Facile Synthesis and Preferred Conformation Analysis of Cyclododeceno[b]indene

Molecules, 2010
Using methanesulfonic acid as a catalyst, a series of cyclododeceno[b]indene derivatives were synthesized by the cyclization of α-benzylcyclododecanones, which were prepared by the reactions of cyclododecanones with a variety of substituted benzyl ...
Mingan Wang, Daoquan Wang, Li Zhang, Shengyan Gong, Chunyan Zhang   +4 more
doaj   +1 more source

Single‐cell DNA methylation profiling: Technologies, computation, and applications in precision oncology

Molecular Oncology, EarlyView.
Single‐cell DNA methylation (scDNAme) profiling maps epimutational clonal evolution, revealing mechanisms of malignancy and therapeutic resistance across diverse cancer types. By providing a high‐resolution landscape of intratumoral heterogeneity, these technologies empower precise patient stratification, guide the development of enhanced ...
Ik Soo Kim
wiley   +1 more source

ADP‐ribosylation: An emerging regulator of the epigenome

Molecular Oncology, EarlyView.
ADP‐ribosylation has emerged as a dynamic epigenetic signaling mechanism that modifies histones and chromatin‐associated proteins. Through coordinated PARylation and MARylation, it integrates with other histone modifications to regulate chromatin structure, transcription factor activity, and gene expression, influencing genome function and disease ...
Cristel V. Camacho, Chenqian Liu, W. Lee Kraus   +2 more
wiley   +1 more source

Conformational analysis of lignin models [PDF]

, 2001
The conformational equilibrium for two 5,5' biphenyl lignin models have been analyzed using a quantum mechanical semiempirical method. The gas phase and solution structures are discussed based on the NMR and X-ray experimental data.
Santos, Hélio Ferreira dos, Dos Santos, Hélio F.   +1 more
core   +1 more source

Conformational Analysis of 3,7-Diacetyl-3,7-Diazabicyclo[3.3.1]Nonanes

Natural Product Communications
Introduction: The importance of the conformational behavior comprehension for proper prediction of properties for a certain compound or for a class of compounds is indisputable.
Sergey A. Pisarev, Elena A. Golubeva, Vladimir A. Palyulin   +2 more
doaj   +1 more source