The understanding of solvation is an essential prerequisite for the quantitative description and analysis of biomolecular systems because solvation is an elementary process in nature and is of paramount importance to many biomolecular processes. Robust models of polar and nonpolar interactions are vital to understanding the solvation properties of biomolecules and the effects of solvation upon biomolecular folding, binding, enzyme catalysis, and dynamic. Multiscale models of solvation have been used to treat different regions of the molecular systems. In this session, invited speakers will present a wide range of multiscale simulation methodologies in hybrid models of solvation
Over the past few decades nanoscience and molecular biology has shown a strong growth worldwide in m...
This presentation was given at the Applied Math and Computing Research Colloquium, Georgia Southern ...
1 Introduction Chapter 1 contains a basic introduction to solvation models. Special attention is ...
The understanding of solvation is an essential prerequisite for the quantitative description and ana...
Integral equation theory of molecular liquids based on statistical mechanics is quite promising as a...
In this work, we will address different aspects of self-consistent field coupling of computational c...
Integral equation theory of molecular liquids based on statistical mechanics is quite promising as a...
Atomistic simulation has become an important tool for studying the structures, dynamics, and functio...
The majority of chemical reactions including many important industrial processes and virtually all b...
Statistical-mechanical, 3D-RISM-KH molecular theory of solvation is an integral equation theory of m...
Centro de Informacion y Documentacion Cientifica (CINDOC). C/Joaquin Costa, 22. 28002 Madrid. SPAIN ...
Molecular modeling is nowadays a well-established analytical tool exactly as spectroscopies or othe...
We combine the statistical\u2013mechanical 1D/3D-RISM-KH molecular theory of solvation with DFT elec...
Water plays an active role in many fundamental phenomena in cellular systems such as molecular recog...
Over the past few decades nanoscience and molecular biology has shown a strong growth worldwide in m...
Over the past few decades nanoscience and molecular biology has shown a strong growth worldwide in m...
This presentation was given at the Applied Math and Computing Research Colloquium, Georgia Southern ...
1 Introduction Chapter 1 contains a basic introduction to solvation models. Special attention is ...
The understanding of solvation is an essential prerequisite for the quantitative description and ana...
Integral equation theory of molecular liquids based on statistical mechanics is quite promising as a...
In this work, we will address different aspects of self-consistent field coupling of computational c...
Integral equation theory of molecular liquids based on statistical mechanics is quite promising as a...
Atomistic simulation has become an important tool for studying the structures, dynamics, and functio...
The majority of chemical reactions including many important industrial processes and virtually all b...
Statistical-mechanical, 3D-RISM-KH molecular theory of solvation is an integral equation theory of m...
Centro de Informacion y Documentacion Cientifica (CINDOC). C/Joaquin Costa, 22. 28002 Madrid. SPAIN ...
Molecular modeling is nowadays a well-established analytical tool exactly as spectroscopies or othe...
We combine the statistical\u2013mechanical 1D/3D-RISM-KH molecular theory of solvation with DFT elec...
Water plays an active role in many fundamental phenomena in cellular systems such as molecular recog...
Over the past few decades nanoscience and molecular biology has shown a strong growth worldwide in m...
Over the past few decades nanoscience and molecular biology has shown a strong growth worldwide in m...
This presentation was given at the Applied Math and Computing Research Colloquium, Georgia Southern ...
1 Introduction Chapter 1 contains a basic introduction to solvation models. Special attention is ...