Insights from molecular dynamics simulations for computational protein design
MC Childers, V Daggett - Molecular systems design & engineering, 2017 - pubs.rsc.org
A grand challenge in the field of structural biology is to design and engineer proteins that
exhibit targeted functions. Although much success on this front has been achieved, design …
exhibit targeted functions. Although much success on this front has been achieved, design …
Protein contact networks: an emerging paradigm in chemistry
Topology is at the very heart of chemistry. This stems from the fact that chemical thought,
since its prescientific alchemic origins, focused on the mutual relations between different …
since its prescientific alchemic origins, focused on the mutual relations between different …
A lesson for the maestro of the replication fork: targeting the protein‐binding interface of proliferating cell nuclear antigen for anticancer therapy
VK Bhardwaj, R Purohit - Journal of Cellular Biochemistry, 2022 - Wiley Online Library
The proliferating cell nuclear antigen (PCNA) has emerged as a promising candidate for the
development of novel cancer therapeutics. PCNA is a nononcogenic mediator of DNA …
development of novel cancer therapeutics. PCNA is a nononcogenic mediator of DNA …
Engineering proteins for thermostability through rigidifying flexible sites
Engineering proteins for thermostability is an exciting and challenging field since it is critical
for broadening the industrial use of recombinant proteins. Thermostability of proteins arises …
for broadening the industrial use of recombinant proteins. Thermostability of proteins arises …
Himalayan bioactive molecules as potential entry inhibitors for the human immunodeficiency virus
VK Bhardwaj, R Purohit, S Kumar - Food Chemistry, 2021 - Elsevier
The human immunodeficiency virus interacts with the cluster of differentiation 4 receptors
and one of the two chemokine receptors (CCR5 and CXCR4) to gain entry in human cells …
and one of the two chemokine receptors (CCR5 and CXCR4) to gain entry in human cells …
Directional conformer exchange in dihydrofolate reductase revealed by single-molecule nanopore recordings
NS Galenkamp, A Biesemans, G Maglia - Nature Chemistry, 2020 - nature.com
Conformational heterogeneity is emerging as a defining characteristic of enzyme function.
However, understanding the role of protein conformations requires their thermodynamic and …
However, understanding the role of protein conformations requires their thermodynamic and …
Contingency and entrenchment in protein evolution under purifying selection
P Shah, DM McCandlish… - Proceedings of the …, 2015 - National Acad Sciences
The phenotypic effect of an allele at one genetic site may depend on alleles at other sites, a
phenomenon known as epistasis. Epistasis can profoundly influence the process of …
phenomenon known as epistasis. Epistasis can profoundly influence the process of …
Science and art of protein formulation development
W Wang, S Ohtake - International journal of pharmaceutics, 2019 - Elsevier
Protein pharmaceuticals have become a significant class of marketed drug products and are
expected to grow steadily over the next decade. Development of a commercial protein …
expected to grow steadily over the next decade. Development of a commercial protein …
Targeting the protein-protein interface pocket of Aurora-A-TPX2 complex: rational drug design and validation
VK Bhardwaj, R Purohit - Journal of Biomolecular Structure and …, 2021 - Taylor & Francis
Aurora-A is a novel therapeutic target that belongs to the serine/threonine kinase family of
proteins. Several cancers are associated with gene amplification or over-expression of …
proteins. Several cancers are associated with gene amplification or over-expression of …
Advanced protein formulations
W Wang - Protein Science, 2015 - Wiley Online Library
It is well recognized that protein product development is far more challenging than that for
small‐molecule drugs. The major challenges include inherent sensitivity to different types of …
small‐molecule drugs. The major challenges include inherent sensitivity to different types of …