Bhageerath: an energy based web enabled computer software suite for limiting the search space of tertiary structures of small globular proteins
B Jayaram, K Bhushan, SR Shenoy… - Nucleic acids …, 2006 - academic.oup.com
We describe here an energy based computer software suite for narrowing down the search
space of tertiary structures of small globular proteins. The protocol comprises eight different …
space of tertiary structures of small globular proteins. The protocol comprises eight different …
Mapping all-atom models onto one-bead coarse-grained models: general properties and applications to a minimal polypeptide model
In the one-and two-bead coarse-grained (CG) models for proteins, the two conformational
dihedrals ϕ and ψ that describe the backbone geometry are no longer present as explicit …
dihedrals ϕ and ψ that describe the backbone geometry are no longer present as explicit …
Basin hopping simulations for all-atom protein folding
We investigate different protocols of the basin hopping technique for de novo protein folding.
Using the protein free-energy force field PFF01 we report the reproducible all-atom folding of …
Using the protein free-energy force field PFF01 we report the reproducible all-atom folding of …
Ab initio protein fold prediction using evolutionary algorithms: Influence of design and control parameters on performance
DP Djurdjevic, MJ Biggs - Journal of computational chemistry, 2006 - Wiley Online Library
True ab initio prediction of protein 3D structure requires only the protein primary structure, a
physicochemical free energy model, and a search method for identifying the free energy …
physicochemical free energy model, and a search method for identifying the free energy …
蛋白质构象与折叠行为的研究
章林溪 - 浙江师范大学学报: 自然科学版, 2006 - cqvip.com
蛋白质结构预测与蛋白质折叠是生命科学研究的核心问题之一, 也是后基因时代推动生物学朝着
定量化发展的重要方向之一, 它是分子生物学中心法则还没有解决的一个重大生物学问题 …
定量化发展的重要方向之一, 它是分子生物学中心法则还没有解决的一个重大生物学问题 …
[引用][C] Use of genetic algorithms to solving basic problems of biomolecular dynamics
R Starosta, T Walczak - Vibrations in Physical Systems, 2006 - yadda.icm.edu.pl
4. Raimundo Gargallo, Philippe H. Hunenberger, Francesc X. Aviles, Baldomero Oliva,
Molecular dynamics simulation of highly charged proteins: comparison of the particle …
Molecular dynamics simulation of highly charged proteins: comparison of the particle …