Molecular dynamics simulation of protein and protein–ligand complexes

R Shukla, T Tripathi - Computer-aided drug design, 2020 - Springer
Biomacromolecules, including proteins and their complexes, adopt multiple conformations
that are linked to their biological functions. Though some of the structural heterogeneity can …

Structural analysis of biomacromolecules using circular dichroism spectroscopy

X Zhao, Y Wang, D Zhao - … Methods to Study Biomolecular Structure and …, 2023 - Elsevier
The chirality of biomacromolecules renders circular dichroism (CD) detection a method to
measure their multiscale structures. This chapter reviews the applications of CD …

[图书][B] Advances in protein molecular and structural biology methods

T Tripathi, VK Dubey - 2022 - books.google.com
Advances in Protein Molecular and Structural Biology Methods offers a complete overview of
the latest tools and methods applicable to the study of proteins at the molecular and …

Therapeutic protein-based vaccines

S Ahmad, V Dahiya, A Vibhuti, RP Pandey… - Protein-based …, 2023 - Springer
Infectious diseases are reported worldwide, and the emergence of highly mutated antibiotic-
resistant strains is a major concern globally. Developing efficient vaccines is the only way to …

Investigating Multi-Target Antiviral Compounds by Screening of Phytochemicals From Neem (Azadirachta indica) Against PRRSV: A Vetinformatics Approach

RK Pathak, DY Kim, B Lim, JM Kim - Frontiers in Veterinary Science, 2022 - frontiersin.org
Porcine reproductive and respiratory syndrome virus (PRRSV) is a global health problem for
pigs. PRRSV is highly destructive and responsible for significant losses to the swine …

Increasing the Modulation Depth of GdIII-Based Pulsed Dipolar EPR Spectroscopy (PDS) with Porphyrin–GdIII Laser-Induced Magnetic Dipole Spectroscopy

A Scherer, X Yao, M Qi, M Wiedmaier… - The Journal of …, 2022 - ACS Publications
Distance determination with pulsed EPR has become an important technique for the
structural investigation of biomacromolecules, with double electron–electron resonance …

Strategies to improve the expression and solubility of recombinant proteins in E. coli

N Nag, H Khan, T Tripathi - Advances in protein molecular and structural …, 2022 - Elsevier
With the development of recombinant DNA technology in the 1980s, the heterologous
expression of proteins has emerged as a valuable tool for researchers and pharmaceutical …

Unraveling structural and conformational dynamics of DGAT1 missense nsSNPs in dairy cattle

RK Pathak, B Lim, Y Park, JM Kim - Scientific reports, 2022 - nature.com
Cattle are domestic animals that have been nourishing humans for thousands of years. Milk
from cattle represents a key source of high-quality protein, fat, and other nutrients. The …

Computational approaches in drug discovery and design

RK Pathak, DB Singh, M Sagar, M Baunthiyal… - Computer-aided drug …, 2020 - Springer
Drug discovery is an expensive and complicated process. The drug must fulfill some criteria
of being nontoxic, bioavailable, and potent. In the view of evermore stringent demands about …

The nucleotide excision repair proteins through the lens of molecular dynamics simulations

ÉSM Pinto, MJ Krause, M Dorn, BC Feltes - DNA repair, 2023 - Elsevier
Mutations that affect the proteins responsible for the nucleotide excision repair (NER)
pathway can lead to diseases such as xeroderma pigmentosum, trichothiodystrophy …