Selected docking poses for Wozniak et al manuscript. File name include the structure id (PDBID or Alphafold model) and the probe id, separated by an underscore (i.e., 6tjk_4.pdb, or AF-P10620-F1-model_6.pdb).This work was supported by the National Institute of Allergic and Infectious Diseases NIAID/ R01 AI156258 (C.G.P.), the T32 AI007244 (J.M.W.), Bristol-Myers Squibb, and Belharra Therapeutics, and the National Institutes of Health grants R01GM069832 (S.F.)
Thesis (Ph.D.)--Boston UniversityPLEASE NOTE: Boston University Libraries did not receive an Authori...
Small molecule docking predicts the interaction of a small molecule ligand with a protein at atomic-...
Glycosaminoglycans (GAGs) are complex polysaccharides involved in a wide range of biological signall...
Molecular docking is a popular way to screen for novel drug compounds. The method involves aligning ...
In order for molecular docking to become a driving force in drug discovery, it should demonstrate a ...
(A) Docking results of beta sitosterol targeting AKT2; (B) Docking results of beta sitosterol target...
This thesis presents a novel multiple ligand simultaneous docking (MLSD) method for simulating prote...
Oxidoreductases are enzymes that catalyze the oxidation of one molecule to another using NAD+ and NA...
<p>(A) Ribbon representation of mAb 17C4/A3-BP-2a 515 variant complex. (B) Ribbon representation of ...
RIGHTS : This article is licensed under the BioMed Central licence at http://www.biomedcentral.com/...
RosettaLigand has been successfully used to predict binding poses in protein-small mole-cule complex...
<p>A, B and C are the three lowest binding poses, respectively. The polar contacts are presented as ...
<p>(A) Three-dimensional representation of the interactions of compound 13 and target protein. (B) P...
Copyright © 2015 Igor V. Oferkin et al.This is an open access article distributed under the Creative...
<p>Small molecule intersects between PDB structures in GtoPdb, PDBe, MMDB and PDBbind (see blogpost...
Thesis (Ph.D.)--Boston UniversityPLEASE NOTE: Boston University Libraries did not receive an Authori...
Small molecule docking predicts the interaction of a small molecule ligand with a protein at atomic-...
Glycosaminoglycans (GAGs) are complex polysaccharides involved in a wide range of biological signall...
Molecular docking is a popular way to screen for novel drug compounds. The method involves aligning ...
In order for molecular docking to become a driving force in drug discovery, it should demonstrate a ...
(A) Docking results of beta sitosterol targeting AKT2; (B) Docking results of beta sitosterol target...
This thesis presents a novel multiple ligand simultaneous docking (MLSD) method for simulating prote...
Oxidoreductases are enzymes that catalyze the oxidation of one molecule to another using NAD+ and NA...
<p>(A) Ribbon representation of mAb 17C4/A3-BP-2a 515 variant complex. (B) Ribbon representation of ...
RIGHTS : This article is licensed under the BioMed Central licence at http://www.biomedcentral.com/...
RosettaLigand has been successfully used to predict binding poses in protein-small mole-cule complex...
<p>A, B and C are the three lowest binding poses, respectively. The polar contacts are presented as ...
<p>(A) Three-dimensional representation of the interactions of compound 13 and target protein. (B) P...
Copyright © 2015 Igor V. Oferkin et al.This is an open access article distributed under the Creative...
<p>Small molecule intersects between PDB structures in GtoPdb, PDBe, MMDB and PDBbind (see blogpost...
Thesis (Ph.D.)--Boston UniversityPLEASE NOTE: Boston University Libraries did not receive an Authori...
Small molecule docking predicts the interaction of a small molecule ligand with a protein at atomic-...
Glycosaminoglycans (GAGs) are complex polysaccharides involved in a wide range of biological signall...