Electrostatic interactions in protein structure, folding, binding, and condensation
Charged and polar groups, through forming ion pairs, hydrogen bonds, and other less
specific electrostatic interactions, impart important properties to proteins. Modulation of the …
specific electrostatic interactions, impart important properties to proteins. Modulation of the …
Molecular docking in modern drug discovery: Principles and recent applications
A Sethi, K Joshi, K Sasikala… - Drug discovery and …, 2019 - books.google.com
The process of hunt of a lead molecule is a long and a tedious process and one is often
demoralized by the endless possibilities one has to search through. Fortunately …
demoralized by the endless possibilities one has to search through. Fortunately …
The HADDOCK web server for data-driven biomolecular docking
Computational docking is the prediction or modeling of the three-dimensional structure of a
biomolecular complex, starting from the structures of the individual molecules in their free …
biomolecular complex, starting from the structures of the individual molecules in their free …
Docking techniques in pharmacology: How much promising?
Docking techniques in pharmacology: How much promising? - ScienceDirect Skip to main
contentSkip to article Elsevier logo Journals & Books Search RegisterSign in View PDF …
contentSkip to article Elsevier logo Journals & Books Search RegisterSign in View PDF …
3DNA: a versatile, integrated software system for the analysis, rebuilding and visualization of three-dimensional nucleic-acid structures
XJ Lu, WK Olson - Nature protocols, 2008 - nature.com
We present a set of protocols showing how to use the 3DNA suite of programs to analyze,
rebuild and visualize three-dimensional nucleic-acid structures. The software determines a …
rebuild and visualize three-dimensional nucleic-acid structures. The software determines a …
Principles and overview of sampling methods for modeling macromolecular structure and dynamics
T Maximova, R Moffatt, B Ma, R Nussinov… - PLoS computational …, 2016 - journals.plos.org
Investigation of macromolecular structure and dynamics is fundamental to understanding
how macromolecules carry out their functions in the cell. Significant advances have been …
how macromolecules carry out their functions in the cell. Significant advances have been …
Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go
N Moitessier, P Englebienne, D Lee… - British journal of …, 2008 - Wiley Online Library
Accelerating the drug discovery process requires predictive computational protocols
capable of reducing or simplifying the synthetic and/or combinatorial challenge. Docking …
capable of reducing or simplifying the synthetic and/or combinatorial challenge. Docking …
HADDOCK versus HADDOCK: new features and performance of HADDOCK2. 0 on the CAPRI targets
SJ De Vries, ADJ Van Dijk, M Krzeminski… - Proteins: structure …, 2007 - Wiley Online Library
Here we present version 2.0 of HADDOCK, which incorporates considerable improvements
and new features. HADDOCK is now able to model not only protein–protein complexes but …
and new features. HADDOCK is now able to model not only protein–protein complexes but …
3D-DART: a DNA structure modelling server
M van Dijk, AMJJ Bonvin - Nucleic acids research, 2009 - academic.oup.com
There is a growing interest in structural studies of DNA by both experimental and
computational approaches. Often, 3D-structural models of DNA are required, for instance, to …
computational approaches. Often, 3D-structural models of DNA are required, for instance, to …
Allosteric communication between protomers of dopamine class A GPCR dimers modulates activation
Y Han, IS Moreira, E Urizar, H Weinstein… - Nature chemical …, 2009 - nature.com
A major obstacle to understanding the functional importance of dimerization between class
AG protein–coupled receptors (GPCRs) has been the methodological limitation in achieving …
AG protein–coupled receptors (GPCRs) has been the methodological limitation in achieving …