The Schrödinger software suite contains a broad array of computational chemistry and
molecular modeling tools that can be used to study the interaction of peptides with proteins …

Predicting the structure and thermodynamics of protein–protein interactions (PPIs) are key to
a proper understanding and modulation of their function. Since experimental methods might …

The coronavirus (CoV) spike (S) protein, involved in viral–host cell fusion, is the primary
immunogenic target for virus neutralization and the current focus of many vaccine design …

Class A G-protein-coupled receptors (GPCRs) influence virtually every aspect of human
physiology. Understanding receptor activation mechanism is critical for discovering novel …

Genetic variation of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has
resulted in the emergence and rapid spread of multiple variants throughout the pandemic, of …

The recently reported “UK variant”(B. 1.1. 7) of SARS-CoV-2 is thought to be more infectious
than previously circulating strains as a result of several changes, including the N501Y …

Receptor tyrosine kinase (RTK)–RAS signalling through the downstream mitogen-activated
protein kinase (MAPK) cascade regulates cell proliferation and survival. The SHOC2–MRAS …

Lipid biology continues to emerge as an area of significant therapeutic interest, particularly
as the result of an enhanced understanding of the wealth of signaling molecules with …

Antibodies (Abs) are a crucial component of the immune system and are often used as
diagnostic and therapeutic agents. The need for high‐affinity and high‐specificity antibodies …

SARS-CoV-2 is a newly emergent coronavirus, which has adversely impacted human health
and has led to the COVID-19 pandemic. There is an unmet need to develop therapies …