Biblio

Export 14 results:
Sort by: Author Title Type [ Year (Desc)]
Filters: Keyword is computer-assisted drug design  [Clear All Filters]
2005
Zhang, M, White RA, Wang L, Goldman R, Kavraki LE, Hassett B.  2005.  Improving Conformational Searches by Geometric Screening. Bioinformatics. 21:624-630.
Abstract      Preprint PDF     Publisher's web site     
2003
Teodoro, ML, Kavraki LE.  2003.  Conformational Flexibility Models for the Receptor in Structure Based Drug Design. Current Pharmaceutical Design. 9:1419-1431.
Abstract      Preprint PDF     Publisher's web site     
Teodoro, ML.  2003.  Modeling Protein Flexibility Using Collective Modes of Motion: Applications to Drug Design. :255.
Abstract      Preprint PDF     
Teodoro, ML, Jr. G PN, Kavraki LE.  2003.  Understanding Protein Flexibility through Dimensionality Reduction. The Journal of Computational Biology. 10:617-634.
Abstract      Preprint PDF     Publisher's web site     
2002
Zhang, M, Kavraki LE.  2002.  Approximating Solutions of Molecular Inverse Kinematics Problems by Subdivision. The 24th International Conference of the IEEE Engineering in Medicine and Biology Society (EMBS) and the Annual Meeting of the Biomedical Engineering Society (BMES). :2182-2183.
Abstract      Publisher's web site     
Teodoro, ML, Jr. G PN, Kavraki LE.  2002.  A Dimensionality Reduction Approach to Modeling Protein Flexibility. Proceedings of the 2002 ACM International Conference on Research in Computational Biology (RECOMB 2002). :299-308.
Abstract      Publisher's web site     
Zhang, M, Kavraki LE.  2002.  Solving Molecular Inverse Kinematics Problems for Protein Folding and Drug Design. Currents in Computational Molecular Biology. :214-215.
Zhang, M, Kavraki LE.  2002.  A New Method for Fast and Accurate Derivation of Molecular Conformations. Journal of Chemical Information and Computer Sciences. 42:64-70.
Abstract      Preprint PDF     Publisher's web site     
2001
Teodoro, ML, Jr. G PN, Kavraki LE.  2001.  Molecular Docking: A Problem with Thousands of Degrees of Freedom. Proc. of the 2001 IEEE International Conference on Robotics and Automation (ICRA 2001). :960-966.
Abstract      Preprint PDF     Publisher's web site     
Zhang, M, Kavraki LE.  2001.  Efficiently Maintaining Molecular Conformations Using Local Frames. Currents in Computational Molecular Biology. :97-98.
2000
Teodoro, ML, Jr. G PN, Kavraki LE.  2000.  Singular Value Decomposition of Protein Conformational Motions: Application to HIV-1 Protease. Currents in Computational Molecular Biology. :198-199.
1998
Finn, PW, Kavraki LE, Latombe J-C, Shelton C, Venkatasubramanian S, Yao A.  1998.  RAPID: Randomized Pharmacophore Identification for drug design. Computational Geometry: Theory and Applications. 10(4):263-272.
Abstract      Preprint PDF     Publisher's web site     
1997
Finn, PW, Kavraki LE, Latombe J-C, Motwani R, Venkatasubramanian S.  1997.  Search Techniques for Rational Drug Design. International Conference on Intelligent Information Systems. :2-6.
Abstract      Publisher's web site     
Finn, PW, Kavraki LE, Latombe J-C, Motwani R, Shelton C, Venkatasubramanian S, Yao A.  1997.  RAPID: Randomized Pharmacophore Identification for drug design. ACM Conference on Computational Geometry. :324-333.
Abstract      Preprint PDF     Publisher's web site