ESCOP

A novel Empirical Side Chain Orientation Potential for native protein structure discrimination

The development of the technologies such as X-ray and NMR for determining molecular structures let biologists be able to solve three dimensional structures of many protein molecules. These known protein structures have supplied scientists a good knowledge resource for understanding the principle how the primary sequence of a protein folds into a biology functional three dimensional structure. ESCOP aims to develop novel Empirical Side Chain Orientation Potential from known protein structures, and to apply these potentials on protein structure prediction and to understand protein folding. This knowledge-based side chain orientation potential we develpoed here is extremely useful for distinguishing the native-like protein structures from the decoy protein structures. We also explore to combine this global side chain orientation potential with the side chain orientation potential between close residue pairs to increase the power for identifying the native-like protein structures.

Name		Name	Last commit message	Last commit date
Latest commit History 8 Commits
.gitignore		.gitignore
LICENSE		LICENSE
README.md		README.md
Vector3D.cpp		Vector3D.cpp
Vector3D.h		Vector3D.h
cal_n_angle_0_180.cpp		cal_n_angle_0_180.cpp
cal_n_angle_0_180_2.cpp		cal_n_angle_0_180_2.cpp
cal_radius_of_gyration.cpp		cal_radius_of_gyration.cpp
cal_tot_asa_of_res.cpp		cal_tot_asa_of_res.cpp
cal_tot_asa_of_res.h		cal_tot_asa_of_res.h
calculate_by_distance.cpp		calculate_by_distance.cpp
calculate_three_nearest_neighbors.cpp		calculate_three_nearest_neighbors.cpp
common.h		common.h
geo_cen_of_res.cpp		geo_cen_of_res.cpp
geo_cen_of_res_2.cpp		geo_cen_of_res_2.cpp
geo_cen_of_side_chain.cpp		geo_cen_of_side_chain.cpp
geo_cen_of_side_chain2.cpp		geo_cen_of_side_chain2.cpp
geo_cen_of_side_chain3.cpp		geo_cen_of_side_chain3.cpp
inter_atom_distance_matrix.cpp		inter_atom_distance_matrix.cpp
main_cal_radius_of_gyration.cpp		main_cal_radius_of_gyration.cpp
main_calculate_distance.cpp		main_calculate_distance.cpp
main_calpha.cpp		main_calpha.cpp
main_linked_list.cpp		main_linked_list.cpp
main_summary_for_index.cpp		main_summary_for_index.cpp
main_write_head_to_file.cpp		main_write_head_to_file.cpp
output_gene_info_a_protein.cpp		output_gene_info_a_protein.cpp
output_global_angle.cpp		output_global_angle.cpp
point.h		point.h
print_head.cpp		print_head.cpp
produce_chain_for_monomer.cpp		produce_chain_for_monomer.cpp
produce_std_aa.cpp		produce_std_aa.cpp
read_angle_asa4.cpp		read_angle_asa4.cpp
read_asa_file.cpp		read_asa_file.cpp
read_asa_main.cpp		read_asa_main.cpp
read_dimer.cpp		read_dimer.cpp
read_standard_data.cpp		read_standard_data.cpp
regenerate_pdb_file.cpp		regenerate_pdb_file.cpp
res_alpha_atom.cpp		res_alpha_atom.cpp
squ_of_num.cpp		squ_of_num.cpp
sum_and_output.cpp		sum_and_output.cpp
sum_and_output2.cpp		sum_and_output2.cpp
sum_and_output3.cpp		sum_and_output3.cpp
sum_and_output5.cpp		sum_and_output5.cpp
sum_based_on_radius.cpp		sum_based_on_radius.cpp
sum_count_output.cpp		sum_count_output.cpp
sum_for_closest_four_atom_chain.cpp		sum_for_closest_four_atom_chain.cpp
sum_for_local.cpp		sum_for_local.cpp
surface_res_alpha_atom.cpp		surface_res_alpha_atom.cpp
ter_atom_of_side_chain.cpp		ter_atom_of_side_chain.cpp
ter_atom_of_side_chain2.cpp		ter_atom_of_side_chain2.cpp
tmatrix.cpp		tmatrix.cpp
tmatrix.h		tmatrix.h
tvector.cpp		tvector.cpp
tvector.h		tvector.h
vector.h		vector.h

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