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Items: 1 to 20 of 38

1.

Defining Low-Dimensional Projections to Guide Protein Conformational Sampling.

Novinskaya A, Devaurs D, Moll M, Kavraki LE.

J Comput Biol. 2016 Nov 28. [Epub ahead of print]

PMID:
27892695
2.

Structure-guided selection of specificity determining positions in the human Kinome.

Moll M, Finn PW, Kavraki LE.

BMC Genomics. 2016 Aug 18;17 Suppl 4:431. doi: 10.1186/s12864-016-2790-3.

3.

Call for Papers: Special Issue on Big Data in Robotics.

Bohg J, Ciocarlie M, Civera J, Kavraki LE.

Big Data. 2016 Jun;4(2):69-70. doi: 10.1089/big.2016.29008.cfp. No abstract available.

PMID:
27441709
4.

Call for Papers: Special Issue on Big Data in Robotics.

Bohg J, Ciocarlie M, Civera J, Kavraki LE.

Big Data. 2016 Mar;4(1):1-2. doi: 10.1089/big.2016.29005.cfp. No abstract available.

PMID:
27441578
5.

Understanding the challenges of protein flexibility in drug design.

Antunes DA, Devaurs D, Kavraki LE.

Expert Opin Drug Discov. 2015 Dec;10(12):1301-13. doi: 10.1517/17460441.2015.1094458. Review.

PMID:
26414598
6.

DINC: a new AutoDock-based protocol for docking large ligands.

Dhanik A, McMurray JS, Kavraki LE.

BMC Struct Biol. 2013;13 Suppl 1:S11. doi: 10.1186/1472-6807-13-S1-S11.

7.

SIMS: a hybrid method for rapid conformational analysis.

Gipson B, Moll M, Kavraki LE.

PLoS One. 2013 Jul 23;8(7):e68826. doi: 10.1371/journal.pone.0068826.

8.

Combinatorial clustering of residue position subsets predicts inhibitor affinity across the human kinome.

Bryant DH, Moll M, Finn PW, Kavraki LE.

PLoS Comput Biol. 2013;9(6):e1003087. doi: 10.1371/journal.pcbi.1003087.

9.

Binding modes of peptidomimetics designed to inhibit STAT3.

Dhanik A, McMurray JS, Kavraki LE.

PLoS One. 2012;7(12):e51603. doi: 10.1371/journal.pone.0051603.

10.

Computational models of protein kinematics and dynamics: beyond simulation.

Gipson B, Hsu D, Kavraki LE, Latombe JC.

Annu Rev Anal Chem (Palo Alto Calif). 2012;5:273-91. doi: 10.1146/annurev-anchem-062011-143024. Review.

11.

An algorithm for efficient identification of branched metabolic pathways.

Heath AP, Bennett GN, Kavraki LE.

J Comput Biol. 2011 Nov;18(11):1575-97. doi: 10.1089/cmb.2011.0165.

PMID:
21999288
12.

The LabelHash server and tools for substructure-based functional annotation.

Moll M, Bryant DH, Kavraki LE.

Bioinformatics. 2011 Aug 1;27(15):2161-2. doi: 10.1093/bioinformatics/btr343.

13.

The LabelHash algorithm for substructure matching.

Moll M, Bryant DH, Kavraki LE.

BMC Bioinformatics. 2010 Nov 11;11:555. doi: 10.1186/1471-2105-11-555.

14.

Tracing conformational changes in proteins.

Haspel N, Moll M, Baker ML, Chiu W, Kavraki LE.

BMC Struct Biol. 2010 May 17;10 Suppl 1:S1. doi: 10.1186/1472-6807-10-S1-S1.

15.

Analysis of substructural variation in families of enzymatic proteins with applications to protein function prediction.

Bryant DH, Moll M, Chen BY, Fofanov VY, Kavraki LE.

BMC Bioinformatics. 2010 May 11;11:242. doi: 10.1186/1471-2105-11-242.

16.

Finding metabolic pathways using atom tracking.

Heath AP, Bennett GN, Kavraki LE.

Bioinformatics. 2010 Jun 15;26(12):1548-55. doi: 10.1093/bioinformatics/btq223.

17.

Application of nonlinear dimensionality reduction to characterize the conformational landscape of small peptides.

Stamati H, Clementi C, Kavraki LE.

Proteins. 2010 Feb 1;78(2):223-35. doi: 10.1002/prot.22526.

18.

Multiscale characterization of protein conformational ensembles.

Shehu A, Kavraki LE, Clementi C.

Proteins. 2009 Sep;76(4):837-51. doi: 10.1002/prot.22390.

19.

Electrostatic contributions drive the interaction between Staphylococcus aureus protein Efb-C and its complement target C3d.

Haspel N, Ricklin D, Geisbrecht BV, Kavraki LE, Lambris JD.

Protein Sci. 2008 Nov;17(11):1894-906. doi: 10.1110/ps.036624.108.

20.

Unfolding the fold of cyclic cysteine-rich peptides.

Shehu A, Kavraki LE, Clementi C.

Protein Sci. 2008 Mar;17(3):482-93. doi: 10.1110/ps.073142708.

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