Chimica un approccio molecolare pdf viewer

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( EN) Cerqueira NM, Bras NF, Fernandes PA, Ramos MJ, MADAMM: a multistaged docking with an automated molecular modeling protocol, in Proteins, vol.В 74, nВєВ 1, gennaio 2009, pp.В 192вЂ“206.

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( EN) Zsoldos Z, Reid D, Simon A, Sadjad SB, Johnson AP, eHiTS: A new fast, exhaustive flexible ligand docking system, in Journal of Molecular Graphics and Modelling, vol.

Method and assessment of docking accuracy, in J.

( EN) Friesner RA, Banks JL, Murphy RB, Halgren TA, Klicic JJ, Mainz DT, Repasky MP, Knoll EH, Shelley M, Perry JK, Shaw DE, Francis P, Shenkin PS, Glide: a new approach for rapid, accurate docking and scoring.

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( EN) Kahraman A, Morris RJ, Laskowski RA, Thornton JM, Shape variation in protein binding pockets and their ligands, in J.Д«iol., vol.В 368, nВєВ 1, aprile 2007, pp.В 283вЂ“301.

( EN) Morris RJ, Najmanovich RJ, Kahraman A, Thornton JM, Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons, in Bioinformatics, vol.В 21, nВєВ 10, maggio 2005, pp.В 2347вЂ“55.

( EN) Cai W, Shao X, Maigret B, Protein-ligand recognition using spherical harmonic molecular surfaces: towards a fast and efficient filter for large virtual throughput screening, in J.

( EN) Shoichet BK, Kuntz ID, Bodian DL, Molecular docking using shape descriptors, in Journal of Computational Chemistry, vol.В 13, nВєВ 3, 2004, pp.В 380вЂ“397.

^ Feig M, Onufriev A, Lee MS, Im W, Case DA, Brooks CL, Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures, in Journal of Computational Chemistry, vol.В 25, 2004, pp.В 265вЂ“84.

Chimica un approccio molecolare pdf viewer free#

( EN) Morris GM, Goodsell DS, Halliday RS, Huey R, Hart WE, Belew RK, Olson AJ, Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function, in Journal of Computational Chemistry, vol.В 19, nВєВ 14, 1998, pp.В 1639вЂ“1662.( EN) Meng EC, Shoichet BK, Kuntz ID, Automated docking with grid-based energy evaluation, in Journal of Computational Chemistry, vol.В 13, nВєВ 4, 2004, pp.В 505вЂ“524.( EN) Wei BQ, Weaver LH, Ferrari AM, Matthews BW, Shoichet BK, Testing a flexible-receptor docking algorithm in a model binding site, in J.( EN) Jorgensen WL, Rusting of the lock and key model for protein-ligand binding, in Science, vol.В 254, nВєВ 5034, 1991, pp.В 954вЂ“5.( EN) Kitchen DB, Decornez H, Furr JR, Bajorath J, Docking and scoring in virtual screening for drug discovery: methods and applications, in Nature reviews.

Chimica un approccio molecolare pdf viewer download#

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( EN) Lengauer T, Rarey M, Computational methods for biomolecular docking, in Curr.