المؤلفون: Shuzhe Wang (4454710), Kajo Krummenacher (11949747), Gregory A. Landrum (1450801), Benjamin D. Sellers (2553409), Paola Di Lello (11949750), Sarah J. Robinson (2131063), Bryan Martin (11949753), Jeffrey K. Holden (11949756), Jeffrey Y. K. Tom (2950314), Anastasia C. Murthy (11949759), Nataliya Popovych (2100757), Sereina Riniker (1450804)

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Infectious Diseases, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, various subselection techniques, unnatural amino acids, structural refinement techniques, intramolecular nonbonded interactions, resulting conformer bundles, based conformer generators, packages currently available, large macrocycles well, derived interproton distances, distance bounds matrix, derived distances, distance geometry, conformer generation, conformer bundle, small molecules, prior force, loose upper, fully open, field parametrization, especially useful, best reproduces, benchmarked using

Relation: https://figshare.com/articles/journal_contribution/Incorporating_NOE-Derived_Distances_in_Conformer_Generation_of_Cyclic_Peptides_with_Distance_Geometry/18428586

الاتاحة: https://doi.org/10.1021/acs.jcim.1c01165.s001

المؤلفون: Shuzhe Wang (4454710), Kajo Krummenacher (11949747), Gregory A. Landrum (1450801), Benjamin D. Sellers (2553409), Paola Di Lello (11949750), Sarah J. Robinson (2131063), Bryan Martin (11949753), Jeffrey K. Holden (11949756), Jeffrey Y. K. Tom (2950314), Anastasia C. Murthy (11949759), Nataliya Popovych (2100757), Sereina Riniker (1450804)

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Infectious Diseases, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, various subselection techniques, unnatural amino acids, structural refinement techniques, intramolecular nonbonded interactions, resulting conformer bundles, based conformer generators, packages currently available, large macrocycles well, derived interproton distances, distance bounds matrix, derived distances, distance geometry, conformer generation, conformer bundle, small molecules, prior force, loose upper, fully open, field parametrization, especially useful, best reproduces, benchmarked using

Relation: https://figshare.com/articles/dataset/Incorporating_NOE-Derived_Distances_in_Conformer_Generation_of_Cyclic_Peptides_with_Distance_Geometry/18428592

الاتاحة: https://doi.org/10.1021/acs.jcim.1c01165.s003

المؤلفون: Shuzhe Wang (4454710), Kajo Krummenacher (11949747), Gregory A. Landrum (1450801), Benjamin D. Sellers (2553409), Paola Di Lello (11949750), Sarah J. Robinson (2131063), Bryan Martin (11949753), Jeffrey K. Holden (11949756), Jeffrey Y. K. Tom (2950314), Anastasia C. Murthy (11949759), Nataliya Popovych (2100757), Sereina Riniker (1450804)

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Infectious Diseases, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, various subselection techniques, unnatural amino acids, structural refinement techniques, intramolecular nonbonded interactions, resulting conformer bundles, based conformer generators, packages currently available, large macrocycles well, derived interproton distances, distance bounds matrix, derived distances, distance geometry, conformer generation, conformer bundle, small molecules, prior force, loose upper, fully open, field parametrization, especially useful, best reproduces, benchmarked using

Relation: https://figshare.com/articles/dataset/Incorporating_NOE-Derived_Distances_in_Conformer_Generation_of_Cyclic_Peptides_with_Distance_Geometry/18428589

الاتاحة: https://doi.org/10.1021/acs.jcim.1c01165.s002