Hydrogen bonds in biological macromolecules play significant structural and functional roles. They are the key contributors to most of the interactions without which no living system exists. In view of this, a web-based computing server, the Hydrogen Bonds Computing Server (HBCS), has been developed to compute hydrogen-bond interactions and their standard deviations for any given macromolecular structure. The computing server is connected to a locally maintained Protein Data Bank (PDB) archive. Thus, the user can calculate the above parameters for any deposited structure, and options have also been provided for the user to upload a structure in PDB format from the client machine. In addition, the server has been interfaced with the molecula...
Classification of protein sequences and structures into families is a fundamental task in biology, a...
We carry out a time-averaged contact matrix study to reveal the existence of protein backbone hydrog...
Hydrogen bonds are major forces of recognition in biochemistry and molecular pharmacology; they are ...
Hydrogen bonds in biological macromolecules play significant structural and functional roles. They a...
We have developed a WWW server, HBPRINT, for the identification of hydrogen–bond signature patterns ...
Hydrogen bonds are one of the dominant forms of atomic interaction within proteins and are studied e...
This paper presents HBcompare, a method that classifies protein structures according to ligand bindi...
We present machine learning (ML) models for hydrogen bond acceptor (HBA) and hydrogen bond donor (HB...
Defining the strength and geometry of hydrogen bonds in protein structures has been a challenging ta...
The concept of chemical bonding can ultimately be seen as a rationalization of the recurring structu...
Hydrogen bonds play integral roles in biological structure, function, and conformational dynamics an...
Proteins are made of vast chains of amino acids that twist and fold into intricate designs. These st...
The intramolecular bonding within proteins is of paramount importance to understand protein structur...
This thesis aims to highlight the importance of analysing the dynamic nature of hydrogen bonds and t...
Classification of protein sequences and structures into families is a fundamental task in biology, a...
Classification of protein sequences and structures into families is a fundamental task in biology, a...
We carry out a time-averaged contact matrix study to reveal the existence of protein backbone hydrog...
Hydrogen bonds are major forces of recognition in biochemistry and molecular pharmacology; they are ...
Hydrogen bonds in biological macromolecules play significant structural and functional roles. They a...
We have developed a WWW server, HBPRINT, for the identification of hydrogen–bond signature patterns ...
Hydrogen bonds are one of the dominant forms of atomic interaction within proteins and are studied e...
This paper presents HBcompare, a method that classifies protein structures according to ligand bindi...
We present machine learning (ML) models for hydrogen bond acceptor (HBA) and hydrogen bond donor (HB...
Defining the strength and geometry of hydrogen bonds in protein structures has been a challenging ta...
The concept of chemical bonding can ultimately be seen as a rationalization of the recurring structu...
Hydrogen bonds play integral roles in biological structure, function, and conformational dynamics an...
Proteins are made of vast chains of amino acids that twist and fold into intricate designs. These st...
The intramolecular bonding within proteins is of paramount importance to understand protein structur...
This thesis aims to highlight the importance of analysing the dynamic nature of hydrogen bonds and t...
Classification of protein sequences and structures into families is a fundamental task in biology, a...
Classification of protein sequences and structures into families is a fundamental task in biology, a...
We carry out a time-averaged contact matrix study to reveal the existence of protein backbone hydrog...
Hydrogen bonds are major forces of recognition in biochemistry and molecular pharmacology; they are ...