Molecular dynamics simulations and novel drug discovery

X Liu, D Shi, S Zhou, H Liu, H Liu… - Expert opinion on drug …, 2018 - Taylor & Francis
Introduction: Molecular dynamics (MD) simulations can provide not only plentiful dynamical
structural information on biomacromolecules but also a wealth of energetic information …

Advances in the understanding of protein misfolding and aggregation through molecular dynamics simulation

A Rahman, B Saikia, CR Gogoi, A Baruah - Progress in Biophysics and …, 2022 - Elsevier
Aberrant protein folding known as protein misfolding is counted as one of the striking factors
of neurodegenerative diseases. The extensive range of pathologies caused by protein …

[KÖNYV][B] Advances in protein chemistry and structural biology

R Donev - 2024 - books.google.com
Advances in Protein Chemistry and Structural Biology, Volume 138 covers reviews of
methodology and research in all aspects of protein chemistry, including …

Anti-prion drugs do not improve survival in novel knock-in models of inherited prion disease

DJ Walsh, JR Rees, S Mehra, MEC Bourkas… - PLoS …, 2024 - journals.plos.org
Prion diseases uniquely manifest in three distinct forms: inherited, sporadic, and infectious.
Wild-type prions are responsible for the sporadic and infectious versions, while mutant …

Fatal familial insomnia: clinical aspects and molecular alterations

F Llorens, JJ Zarranz, A Fischer, I Zerr… - Current neurology and …, 2017 - Springer
Abstract Purpose of Review Fatal familiar insomnia (FFI) is an autosomal dominant inherited
prion disease caused by D178N mutation in the prion protein gene (PRNP D178N) …

Computational approaches and resources in single amino acid substitutions analysis toward clinical research

CGP Doss, C Chakraborty, V Narayan… - Advances in protein …, 2014 - Elsevier
Single amino acid substitutions (SAPs) belong to a class of SNPs in the coding region,
which alter the protein function during the translation process. Storage of more information …

Combining molecular dynamics simulations and experimental analyses in protein misfolding

H Wille, L Dorosh, S Amidian, G Schmitt-Ulms… - Advances in Protein …, 2019 - Elsevier
The fold of a protein determines its function and its misfolding can result in loss-of-function
defects. In addition, for certain proteins their misfolding can lead to gain-of-function toxicities …

[KÖNYV][B] Molecular structures and structural dynamics of prion proteins and prions

J Zhang - 2015 - Springer
Studies conducted over the past few decades have demonstrated that rabbits are immune to
prion diseases (also known as transmissible spongiform encephalopathies (TSEs)). Unlike …

Molecular dynamics studies on the buffalo prion protein

J Zhang, F Wang, S Chatterjee - Journal of Biomolecular Structure …, 2016 - Taylor & Francis
It was reported that buffalo is a low susceptibility species resisting to transmissible
spongiform encephalopathies (TSEs)(same as rabbits, horses, and dogs). TSEs, also called …

A study of genomic diversity in populations of Maharashtra, India, inferred from 20 autosomal STR markers

A Badiye, N Kapoor, RK Kumawat, S Dixit, A Mishra… - BMC Research …, 2021 - Springer
Objective This study was planned to evaluate the genetic diversity in the admixed and Teli (a
Hindu caste) populations of Maharashtra, India using 20 autosomal Short Tandem Repeat …