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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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13 relations
Ascalaph Designer
C++
Force field (chemistry)
Fortran
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Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2013
2013
Structural Simulation of MHC-peptide Interactions using T-cell Epitope in Iron-acquisition Protein of N. meningitides for Vaccine Design
N. Mishra
,
Priyanka Chaubey
,
Ankita Mishra
,
K. Shah
2013
Corpus ID: 54970419
The present work uses a structural simulation approach to identify the potential target vaccine candidates or T cell epitopes…
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2012
2012
A short note on the fast evaluation of dihedral angle potentials and their derivatives
P. Gonnet
Journal of Computational Physics
2012
Corpus ID: 29470465
2010
2010
Applying Genetic Algorithms and Rotamer Library to study the Molecular Docking of HIV-1 Protease and CDK-2 with ligands
L. Scott
,
A. K. Lima
,
E. A. Philot
,
J. Cassiano
,
R. Catequese
2010
Corpus ID: 2756117
Efficient computational techniques can aid to study of the protein structure allowing diverse applications in many scientific…
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2007
2007
Genetic Algorithm for Finding Multiple Low Energy Conformations of Poly Alanine Sequences Under an Atomistic Protein Model
F. L. Custódio
,
H. Barbosa
,
L. Dardenne
Brazilian Symposium on Bioinformatics
2007
Corpus ID: 30596505
The determination of the three-dimensional structure of a protein is one of the most challenging problems of modern science. A…
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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
T. C. França
,
Alan Wilter
,
T. Ramalho
,
P. Pascutti
,
J. Figueroa-Villar
2006
Corpus ID: 30553423
Plasmodium falciparum Serine Hydroxymethyltransferase has never been used as target for antimalarial chemotherapy, possibly…
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Review
2001
Review
2001
DIVISION OF COMPUTERS IN CHEMISTRY ABSTRACTS
B. Bursten
,
Michele L. Goodbread
,
+6 authors
Hui Li
2001
Corpus ID: 51842775
text not available. 52. FINGERPRINT ANALYSIS OF PROTEINS AND LIGANDS FOR HIGH-THROUGHPUT SCREENING. W. Todd Wipke, Zheng Yang…
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Review
1999
Review
1999
Biomolecular Simulation Program Package
W. Scott
,
P. H. Hu
,
+7 authors
W. V. Gunsteren
1999
Corpus ID: 12874052
We present the newest version of the GROningen MOlecular Simulation program package, GROMOS96. GROMOS96 has been developed for…
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1999
1999
Shared Memory Parallelization of the GROMOS96 Molecular Dynamics Code
M. Dormanns
The Scientist
1999
Corpus ID: 15188893
This chapter describes the parallelization of GROMOS96, a molecular dynamics simulation code, on SCI-interconnected cluster…
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1998
1998
DETERMINATION OF THE STABLE MICROSTATES OF A PEPTIDE FROM NOE DISTANCE CONSTRAINTS AND OPTIMIZATION OF ATOMIC SOLVATION PARAMETERS
C. Baysal
,
H. Meirovitch
1998
Corpus ID: 15457431
A methodology for analyzing nuclear Overhauser effect (NOE) data of interconverting microstates of a peptide has been suggested…
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1993
1993
Combination of Molecular Dynamic Simulation Program GROMOS With Semi-empirical Quantum Chemistry Method AM1
刘海燕
,
施蕴渝
1993
Corpus ID: 94421912
Molecular dynamic simulation method has become one of the important techniques to study structures and functions of…
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