Nishank Raisinghani

This study identifies immune escape hotspots and binding determinants for broadly neutralizing antibodies against Omicron variants using molecular dynamics and deep mutational scanning.

This study evaluates AlphaFold2's ability to predict apo and holo protein conformations using randomized alanine masking and subsampling, finding it effective for minor changes but less so for large domain movements.

This study adapts AlphaFold2 to predict conformational ensembles of allosteric ABL kinase mutants, showing that sequence masking and subsampling improve prediction of structural state shifts caused by mutations.

This study uses AlphaFold2 and molecular dynamics to predict conformational ensembles and binding mechanisms of SARS-CoV-2 Omicron variants, showing agreement with experimental data.

This study adapts AlphaFold2 to predict conformational ensembles and allosteric states of ABL kinase using sequence scanning and frustration profiling, revealing limitations in detecting low-populated inactive states.

This study uses AlphaFold2 and molecular simulations to analyze how mutations in SARS-CoV-2 Spike protein variants balance ACE2 binding and antibody resistance through epistatic interactions.

This study uses AlphaFold2 and molecular dynamics to analyze the structure, dynamics, and binding of SARS-CoV-2 Omicron BA.2.86 spike protein with ACE2 and antibodies, revealing key mutations that enhance immune evasion and ACE2 binding.