Developing technological pedagogical science knowledge through educational computational chemistry: a case study of pre-service chemistry teachers' perceptions

J Rodríguez-Becerra, L Cáceres-Jensen… - … Research and Practice, 2020 - pubs.rsc.org
The purpose of this descriptive case study was to develop pre-service chemistry teachers'
Technological Pedagogical Science Knowledge (TPASK) through novel computational …

Analysing molecular polar surface descriptors to predict blood-brain barrier permeation

S Shityakov, W Neuhaus… - … biology and drug …, 2013 - inderscienceonline.com
Molecular polar surface (PS) descriptors are very useful parameters in prediction of drug
transport properties. They could be also used to investigate the blood-brain barrier (BBB) …

Using iSpartan to support a student-centered activity on alkane conformations

LL Winfield, K McCormack, T Shaw - Journal of Chemical …, 2018 - ACS Publications
Strategies employed in the organic chemistry course must have the shared benefit of
promoting concept mastery and visual literacy. With this in mind, an iSpartan-enabled …

A perspective on quantum mechanics calculations in ADMET predictions

JP Bowen, OF Guner - Current Topics in Medicinal Chemistry, 2013 - ingentaconnect.com
Understanding the molecular basis of drug action has been an important objective for
pharmaceutical scientists. With the increasing speed of computers and the implementation …

Modelagem Molecular no Ensino de Ciências: Uma revisão da literatura no Período 2001-2011 acerca da sua aplicabilidade em atividades de ensino/Molecular …

A de Farias Ramos, A Serrano - Acta Scientiae, 2013 - periodicos.ulbra.br
Apresentamos uma extensa revisão de literatura da produção na área de Ensino e Ciências
e Matemática sobre o tópico de modelagem molecular. Investigamos dezessete periódicos …

67 Ga-metalloprobes: monitoring the impact of geometrical isomers on accumulation profiles in rat cardiomyoblasts and human breast carcinoma cells

J Sivapackiam, SE Harpstrite, NP Rath, V Sharma - MedChemComm, 2017 - pubs.rsc.org
Geometrically similar monocationic gallium (III) complexes and their radiolabeled SPECT
counterparts were obtained from Schiff base precursor ligands using ligand exchange …

[PDF][PDF] Characterizing Ligand Interactions in Wild-type and Mutated HIV-1 Proteases

LL Winfield, R Gregory-Bass, J Campbell, A Watkins - J. Comp. Sci. Educ., 2014 - jocse.org
ABSTRACT A computational module has been developed in which students examine the
binding interactions between indinavir and HIV-1 protease. The project is a component of …