EnCPdock: a web-interface for direct conjoint comparative analyses of complementarity and binding energetics in inter-protein associations
Context Protein–protein interaction (PPI) is a key component linked to virtually all cellular
processes. Be it an enzyme catalysis ('classic type functions' of proteins) or a signal …
processes. Be it an enzyme catalysis ('classic type functions' of proteins) or a signal …
Capturing a crucial 'disorder-to-order transition'at the heart of the coronavirus molecular pathology—triggered by highly persistent, interchangeable salt-bridges
The COVID-19 origin debate has greatly been influenced by genome comparison studies of
late, revealing the emergence of the Furin-like cleavage site at the S1/S2 junction of the …
late, revealing the emergence of the Furin-like cleavage site at the S1/S2 junction of the …
Plausible blockers of Spike RBD in SARS-CoV2—Molecular design and underlying interaction dynamics from high-level structural descriptors
S Basu, D Chakravarty, D Bhattacharyya… - Journal of Molecular …, 2021 - Springer
COVID-19 is characterized by an unprecedented abrupt increase in the viral transmission
rate (SARS-CoV-2) relative to its pandemic evolutionary ancestor, SARS-CoV (2003). The …
rate (SARS-CoV-2) relative to its pandemic evolutionary ancestor, SARS-CoV (2003). The …
Modified host defence peptide GF19 slows TNT-mediated spread of corneal herpes simplex virus serotype I infection
Corneal HSV-1 infections are a leading cause of infectious blindness globally by triggering
tissue damage due to the intense inflammation. HSV-1 infections are treated mainly with …
tissue damage due to the intense inflammation. HSV-1 infections are treated mainly with …
Phosphorylcholine and KR12-containing corneal implants in HSV-1-infected rabbit corneas
Severe HSV-1 infection can cause blindness due to tissue damage from severe
inflammation. Due to the high risk of graft failure in HSV-1-infected individuals, cornea …
inflammation. Due to the high risk of graft failure in HSV-1-infected individuals, cornea …
Combining Complementarity and Binding Energetics in the Assessment of Protein Interactions: EnCPdock—A Practical Manual
The combined effect of shape and electrostatic complementarities (Sc, EC) at the interface of
the interacting protein partners (PPI) serves as the physical basis for such associations and …
the interacting protein partners (PPI) serves as the physical basis for such associations and …
Shape complementarity at protein interfaces via global docking optimisation
G Williams - Journal of Molecular Graphics and Modelling, 2018 - Elsevier
Protein complexes are characterised by shape complementarity at the interface. Here we
present a simple fast global shape fitting algorithm to investigate the extent to which …
present a simple fast global shape fitting algorithm to investigate the extent to which …
Combining Complementarity and Binding Energetics in Protein Interactions: EnCPdock—A Practical Manual
G Biswas, D Mukherjee, S Basu - 2023 - preprints.org
The combined efect of shape and electrostatic complementarities (Sc, EC) at the interface of
the interacting protein partners (PPI) serves as the physical basis for such associations and …
the interacting protein partners (PPI) serves as the physical basis for such associations and …
Plot-Tools in Protein Structure Validations: From the Ramachandran Plot to the Complementarity Plot (Commentary)
S Basu - 2023 - preprints.org
A picture is worth a thousand words. Many branches of Science have been historically
benefited with plots and visual analyses (lately, image processing and deep learning) …
benefited with plots and visual analyses (lately, image processing and deep learning) …