Computational tools for modern vaccine development

Sunita, A Sajid, Y Singh, P Shukla - Human vaccines & …, 2020 - Taylor & Francis
Vaccines play an essential role in controlling the rates of fatality and morbidity. Vaccines not
only arrest the beginning of different diseases but also assign a gateway for its elimination …

[HTML][HTML] Computational design of vaccine immunogens

KM Castro, A Scheck, S Xiao, BE Correia - Current opinion in …, 2022 - Elsevier
Computational protein engineering has enabled the rational design of customized proteins,
which has propelled both sequence-based and structure-based immunogen engineering …

How HIV-1 entry mechanism and broadly neutralizing antibodies guide structure-based vaccine design

M Pancera, A Changela, PD Kwong - Current Opinion in HIV and …, 2017 - journals.lww.com
How HIV-1 entry mechanism and broadly neutralizing antibodie... : Current Opinion in HIV and
AIDS How HIV-1 entry mechanism and broadly neutralizing antibodies guide structure-based …

[HTML][HTML] In silico methods for design of biological therapeutics

A Roy, S Nair, N Sen, N Soni, MS Madhusudhan - Methods, 2017 - Elsevier
It has been twenty years since the first rationally designed small molecule drug was
introduced into the market. Since then, we have progressed from designing small molecules …

Engineered immunogens to elicit antibodies against conserved coronavirus epitopes

AB Kapingidza, DJ Marston, C Harris, D Wrapp… - Nature …, 2023 - nature.com
Immune responses to SARS-CoV-2 primarily target the receptor binding domain of the spike
protein, which continually mutates to escape acquired immunity. Other regions in the spike …

Amino acids characterization based on frequency and interaction analysis in human antigen-antibody complexes from Thera-SAbDab

R Pais, AK Nagraj, A Gavade, R Patel… - Human …, 2025 - journals.sagepub.com
Background Antibodies are composed of light and heavy chains, both of which have
constant and variable regions. The diversity, specific binding ability and therapeutic potential …

Emerging vaccine technologies

RJ Loomis, PR Johnson - Vaccines, 2015 - mdpi.com
Vaccination has proven to be an invaluable means of preventing infectious diseases by
reducing both incidence of disease and mortality. However, vaccines have not been …

Protein engineering by combined computational and in vitro evolution approaches

L Rosenfeld, M Heyne, JM Shifman, N Papo - Trends in biochemical …, 2016 - cell.com
Two alternative strategies are commonly used to study protein–protein interactions (PPIs)
and to engineer protein-based inhibitors. In one approach, binders are selected …

Analysis of binding modes of antigen–antibody complexes by molecular mechanics calculation

L Qu, X Qiao, F Qi, N Nishida… - Journal of Chemical …, 2021 - ACS Publications
Antibodies are one of the most important protein molecules in biopharmaceutics. Due to the
recent advance in technology for producing monoclonal antibodies, many structural data are …

De novo design of antibody complementarity determining regions binding a FLAG tetra-peptide

KC Entzminger, J Hyun, RJ Pantazes… - Scientific reports, 2017 - nature.com
Computational antibody engineering efforts to date have focused on improving binding
affinities or biophysical characteristics. De novo design of antibodies binding specific …