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GROMOS

GROMOS is the name of a force field for molecular dynamics simulation, and a related computer software package. Both are developed at the University… 
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Ascalaph DesignerC++Force field (chemistry)Fortran

Papers overview

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2013
2013
Structural Simulation of MHC-peptide Interactions using T-cell Epitope in Iron-acquisition Protein of N. meningitides for Vaccine Design
The present work uses a structural simulation approach to identify the potential target vaccine candidates or T cell epitopes… 
2013
2013
Simulation de cristaux de cellulose par dynamique moléculaire
Les proprietes structurales de quatre types de cellulose cristalline (Iα, Iβ, II et IIII), incluant details structuraux du coeur… 
2012
2012
A short note on the fast evaluation of dihedral angle potentials and their derivatives
2007
2007
Genetic Algorithm for Finding Multiple Low Energy Conformations of Poly Alanine Sequences Under an Atomistic Protein Model
The determination of the three-dimensional structure of a protein is one of the most challenging problems of modern science. A… 
2006
2006
Molecular dynamics of the interaction of Plasmodium falciparum and human serine hydroxymethyltransferase with 5-formyl-6-hydrofolic acid analogues: design of new potential antimalarials
Plasmodium falciparum Serine Hydroxymethyltransferase has never been used as target for antimalarial chemotherapy, possibly… 
Highly Cited
2002
Highly Cited
2002
Conformational Dynamics of Trialanine in Water: A Molecular Dynamics Study
Classical molecular dynamics (MD) studies of trialanine in aqueous solution are presented. The investigations have been inspired… 
1999
1999
Shared Memory Parallelization of the GROMOS96 Molecular Dynamics Code
This chapter describes the parallelization of GROMOS96, a molecular dynamics simulation code, on SCI-interconnected cluster… 
Review
1999
Review
1999
Biomolecular Simulation Program Package
We present the newest version of the GROningen MOlecular Simulation program package, GROMOS96. GROMOS96 has been developed for… 
1998
1998
DETERMINATION OF THE STABLE MICROSTATES OF A PEPTIDE FROM NOE DISTANCE CONSTRAINTS AND OPTIMIZATION OF ATOMIC SOLVATION PARAMETERS
A methodology for analyzing nuclear Overhauser effect (NOE) data of interconverting microstates of a peptide has been suggested… 
1996
1996
Molecular modeling of drug-DNA interactions: Facts and fantasies
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