Molegro Virtual Docker for Docking.

作者: Gabriela Bitencourt-Ferreira , Walter Filgueira de Azevedo

DOI: 10.1007/978-1-4939-9752-7_10

关键词:

摘要: Molegro Virtual Docker is a protein-ligand docking simulation program that allows us to carry out docking simulations in a fully integrated computational package. MVD has been …

参考文章(69)
Sung-Hou Kim, Ursula Schulze-Gahmen, Jeroen Brandsen, Walter Filgueira de Azevedo, None, Structural basis for chemical inhibition of CDK2. Progress in cell cycle research. ,vol. 2, pp. 137- 145 ,(1996) , 10.1007/978-1-4615-5873-6_14
Izaltina Silva-Jardim, Carolina Bioni Garcia Teles, Leandro Soares Moreira-Dill, Alexandre de Almeida Silva, Valdir Alves Facundo, Walter F. de Azevedo, Luiz Hildebrando Pereira da Silva, Maria Cristina M. Motta, Rodrigo Guerino Stábeli, A lupane-triterpene isolated from Combretum leprosum Mart. fruit extracts that interferes with the intracellular development of Leishmania (L.) amazonensis in vitro BMC Complementary and Alternative Medicine. ,vol. 15, pp. 165- 165 ,(2015) , 10.1186/S12906-015-0681-9
Rainer Storn, Kenneth Price, Differential Evolution – A Simple and Efficient Heuristic for Global Optimization over Continuous Spaces Journal of Global Optimization. ,vol. 11, pp. 341- 359 ,(1997) , 10.1023/A:1008202821328
Che-Lun Hung, Chi-Chun Chen, Computational Approaches for Drug Discovery Drug Development Research. ,vol. 75, pp. 412- 418 ,(2014) , 10.1002/DDR.21222
David S. Goodsell, Arthur J. Olson, Automated docking of substrates to proteins by simulated annealing. Proteins. ,vol. 8, pp. 195- 202 ,(1990) , 10.1002/PROT.340080302
Walter Filgueira de Azevedo Jr., S Leclerc, L Meijer, L Havlicek, M Strnad, SH Kim, Inhibition of cyclin-dependent kinases by purine analogues: crystal structure of human cdk2 complexed with roscovitine. FEBS Journal. ,vol. 243, pp. 518- 526 ,(1997) , 10.1111/J.1432-1033.1997.0518A.X
Milena B.P. Soares, Cinara V. Silva, Tanira M. Bastos, Elisalva T. Guimarães, Claudio P. Figueira, Despina Smirlis, Walter F. Azevedo, Anti-Trypanosoma cruzi activity of nicotinamide Acta Tropica. ,vol. 122, pp. 224- 229 ,(2012) , 10.1016/J.ACTATROPICA.2012.01.001
Vladimír Kryštof, Petr Cankař, Iveta Fryšová, Jan Slouka, George Kontopidis, Petr Džubák, Marián Hajdúch, Josef Srovnal, Walter F. de Azevedo, Martin Orság, Martina Paprskářová, Jakub Rolčík, Aleš Látr, Peter M. Fischer, Miroslav Strnad, 4-Arylazo-3,5-diamino-1H-pyrazole CDK Inhibitors: SAR Study, Crystal Structure in Complex with CDK2, Selectivity, and Cellular Effects† Journal of Medicinal Chemistry. ,vol. 49, pp. 6500- 6509 ,(2006) , 10.1021/JM0605740
J.D. Coracini, W.F. Azevedo, Shikimate kinase, a protein target for drug design. Current Medicinal Chemistry. ,vol. 21, pp. 592- 604 ,(2014) , 10.2174/09298673113206660299