ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers

ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers,10.1021/ci100015j,Journal of Chemical Information and Modelin

ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers (Citations: 5)


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Journal: Journal of Chemical Information and Modeling - J CHEM INF MODEL , vol. 50, no. 4, pp. 534-546, 2010

DOI: 10.1021/ci100015j

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Citation Context (4)

- ...Several proprietary conformation generators are currently available (including OMEGA [5], ROTATE [6], Catalyst [7], Confort [8], ConfGen [9], Balloon [10] and MED-3DMC [11] among others) but only recently have open source conformation generators appeared: Frog2 [12] generates conformers using a Monte Carlo approach, while Multiconf-DOCK [13] adapts the systematic search code from DOCK5 [14] to generate diverse conformers via a ...
- ...Performance of conformer generators is typically measured by the percent recovery of crystal structures with respect to a particular RMSD cutoff (see for example Ref [9])...
Noel M O’Boyle, et al. Confab - Systematic generation of diverse low-energy conformers
- ...Recent studies showed the ability of ConfGen to compute reasonable conformers of molecules [39,40]...
Andreas Jahn, et al. 4D Flexible Atom-Pairs: An efficient probabilistic conformational spac...
- ...It has been a research hotspot in the last decades and many computational algorithms have appeared in succession recently[3,5,10-17]...
Fang Bai, et al. Bioactive conformational generation of small molecules: A comparative ...
- ...Conformers were generated with the ConfGen torsional sampling by optimized potential for liquid simulations (OPLS-2005) force field (Watts et al., 2010)...
Selvaraman Nagamani, et al. Theoretical studies on benzimidazole derivatives as E . coli biotin ca...

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Journal: Journal of Cheminformatics - J Cheminf , vol. 3, no. 1, pp. 1-9, 2011

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Journal: Journal of Cheminformatics - J Cheminf , vol. 3, no. 1, pp. 1-17, 2011

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Journal: BMC Bioinformatics , vol. 11, no. 1, pp. 545-12, 2010

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Conference: Ultrasonics, IEEE Symposium - IUS , 2003

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