CEBA'13 Registered Talks

Introduction to CEBA'13

Walter Rocchia

Abstract

Electrostatics in biomolecular systems

Benoit Roux

Abstract

Electrostatics models for Biology

Jim Warwicker

Abstract


Classical density functional theories of ionic solutions

Jan Forsman

Abstract

Introducing charge hydration asymmetry into continuum electrostatics framework

Alexey Onufriev

Abstract

Continuum electrostatics for Biological Applications: the DelPhi case

Walter Rocchia

Abstract


Discontinuous Galerkin schemes
for
elliptic problems

Paola Pietra

Abstract

Surface Electrostatics Using An Adaptive Cartesian Grid-Based Poisson-Boltzmann Solver

Alexander Boschitsch

Abstract

An Adaptive, Finite Difference Solver
for the
Nonlinear Poisson-Boltzmann Equation

Maxime Theillard

Abstract


Design, Development and Applications of the MEAD Suite for Macromolecular Electrostatics

Donald Bashford

Abstract

Progress and Challenges in Boundary-Integral Methods for Biological Electrostatics

Jaydeep P. Bardhan

Abstract

Efficient Boundary Element Method with curved elements for implicit solvation in biological systems

Sergei Grudinin

Abstract


Generalized Born forces:
surface integral
formulation

Federico Fogolari

Abstract

Molecular surface design
with
balls

Nico Kruithof

Abstract

The Role of Molecular Surface Definition in the Emergence of Singular Solutions to the PB Equation

Alexander Boschitsch

Abstract


State-of-the-art and perspectives of implicit modeling for molecular surfaces

Giuseppe Patané

Abstract

A Generic Framework for Delaunay Mesh Generation and Optimization

Pierre Alliez

Abstract

Multiscale multiphysics and multidomain models for biomolecular systems

Guowei Wei

Abstract


Beyond computation,
the representation of electrostatics in biological settings

Monica Zoppé

Abstract

NanoShaper: a general and robust ray-casting based tool for processing surfaces at the nanoscale

Sergio Decherchi

Abstract

Triangulating Molecular Surfaces
with
Millions of Atoms

Sergio Dias

Abstract


Mixed MPI-CUDA implementation
of
full PB equation

José Colmenares

Abstract

Control of DNA Minor Groove Width and Electrostatic Potential in Fis Binding Sequences

Rosa Di Felice

Abstract

Computing protein binding properties
from
molecular electrostatic potentials

Michael Martinez

Abstract


Structural and electrostatic determinants of interaction specificity in G-protein mediated signaling

Mickey Kosloff

Abstract

Free Energy Landscapes
in
Biological Systems

Vittorio Limongelli

Abstract

Using structural and physical-chemical parameters to identify functional districts in proteins - the role of electrostatic potential

Goran Neshich

Abstract


Modeling opto-electronic properties of a dye molecule in proximity of a semiconductor nanoparticle

Alain Delgado

Abstract

Modelling
of
spherical interpolyelectrolyte complexes

Vladimir Baulin

Abstract