Advances in biomolecular simulations: methodology and recent applications.
Molecular dynamics simulations are widely used today to tackle problems in biochemistry and molecular biology. In the 25 years since the first simulation of a protein computers have become faster by many orders of magnitude, algorithms and force fields have been improved, and simulations can now be applied to very large systems, such as protein-nucleic acid complexes and multimeric proteins in aqueous solution. In this review we give a general background about molecular dynamics simulations, and then focus on some recent technical advances, with applications to biologically relevant problems.
Norberg
Jan
J
Center for Structural Biochemistry, Department of Biosciences at Novum, Karolinska Institutet, SE-141 57 Huddinge, Sweden. Jan.Norberg@biosci.ki.se
Nilsson
Lennart
L
D000465:Algorithms; D002241:Carbohydrates / Q000737:chemistry*; D003198:Computer Simulation; D008958:Models, Molecular; D009696:Nucleic Acids / Q000737:chemistry*; D011506:Proteins / Q000737:chemistry*; D013816:Thermodynamics
D002241:Carbohydrates; D009696:Nucleic Acids; D011506:Proteins