DOI: 10.1016/j.bbapap.2005.07.041. Target flexibility in molecular recognition

Target flexibility in molecular recognition

10.1016/j.bbapap.2005.07.041

Crossref journal-article

Elsevier BV

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics (78)

Bibliography

McCammon, J. A. (2005). Target flexibility in molecular recognition. Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, 1754(1â2), 221â224.

Authors 1

J. Andrew McCammon (first)

References 18 Referenced 51

{'key': '10.1016/j.bbapap.2005.07.041_bib1', 'series-title': 'Structural Biology of Viruses', 'first-page': '451', 'article-title': 'Rational design of HIV protease inhibitors', 'author': 'Hodge', 'year': '1997'} / Structural Biology of Viruses / Rational design of HIV protease inhibitors by Hodge (1997)
10.1146/annurev.pharmtox.43.100901.140216 / Annu. Rev. Pharmacol. Toxicol. / Protein flexibility and computer-aided drug design by Wong (2003)
10.1021/ja0260162 / J. Am. Chem. Soc. / Computational drug design accommodating receptor flexibility—the relaxed complex scheme by Lin (2002)
10.1002/bip.10218 / Biopolymers / The relaxed complex method: accommodating receptor flexibility for drug design with an improved scoring scheme by Lin (2003)
10.1021/jm0341913 / J. Med. Chem. / Discovery of a novel binding trench in HIV integrase by Schames (2004)
10.1126/science.274.5292.1531 / Science / Discovering high-affinity ligands for proteins: SAR by NMR by Shuker (1996)
10.1073/pnas.97.17.9367 / Proc. Natl. Acad. Sci. U. S. A. / Site-directed ligand discovery by Erlanson (2000)
10.1063/1.1755656 / J. Chem. Phys. / Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules by Hamelberg (2004)
10.1002/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B / J. Comp. Chem. / Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function by Morris (1998)
10.1146/annurev.biophys.30.1.211 / Ann. Rev. Biophys. Biomol. Struct. / Biomolecular simulations: recent developments in force fields, simulations of enzyme catalysis, protein–ligand, protein–protein, and protein–nucleic acid noncovalent interactions by Wang (2001)
10.1073/pnas.181342398 / Proc. Natl. Acad. Sci. U. S. A. / Electrostatics of nanosystems: application to microtubules and the ribosome by Baker (2001)
{'year': '1975', 'series-title': 'Adaptation in Natural and Artificial Systems', 'author': 'Holland', 'key': '10.1016/j.bbapap.2005.07.041_bib12'} / Adaptation in Natural and Artificial Systems by Holland (1975)
{'key': '10.1016/j.bbapap.2005.07.041_bib13', 'first-page': '9620', 'article-title': 'A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges—the RESP model', 'volume': '115', 'author': 'Bayly', 'year': '1993', 'journal-title': 'J. Am. Chem. Soc.'} / J. Am. Chem. Soc. / A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges—the RESP model by Bayly (1993)
10.1016/S0006-3495(04)74084-9 / Biophys. J. / Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy by Swanson (2004)
10.1016/S0006-3495(97)78756-3 / Biophys. J. / The statistical–thermodynamic basis for computation of binding affinities: a critical review by Gilson (1997)
10.1016/S0026-895X(24)23192-8 / Mol. Pharmacol. / Accommodating protein flexibility in computational drug design by Carlson (2000)
10.1021/jm990322h / J. Med. Chem. / Developing a dynamic pharmacophore model for HIV-1 integrase by Carlson (2000)
A. May, M. Zacharias, Accounting for global protein deformability during protein–protein and protein–ligand docking. Bioch. Biophys. Acta (this volume). doi:10.1016/j.bbapap.2005.07.045 (10.1016/j.bbapap.2005.07.045)

Dates

Type	When
Created	19 years, 11 months ago (Sept. 13, 2005, 7:14 a.m.)
Deposited	8 months ago (Jan. 3, 2025, 9:30 p.m.)
Indexed	8 months ago (Jan. 3, 2025, 10:10 p.m.)
Issued	19 years, 9 months ago (Dec. 1, 2005)
Published	19 years, 9 months ago (Dec. 1, 2005)
Published Print	19 years, 9 months ago (Dec. 1, 2005)

Funders 0

None

BibTeX

@article{McCammon_2005, title={Target flexibility in molecular recognition}, volume={1754}, ISSN={1570-9639}, url={http://dx.doi.org/10.1016/j.bbapap.2005.07.041}, DOI={10.1016/j.bbapap.2005.07.041}, number={1–2}, journal={Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics}, publisher={Elsevier BV}, author={McCammon, J. Andrew}, year={2005}, month=dec, pages={221–224} }

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