Changes and Challenges: Gist, Mutated C-Kit and Imatinib Resistance
Sabrina Pricl1, Marco Ferrone1, Maria Silvia Paneni1, Maurizio Fermeglia1, Elena Tamborini2, Silvana Pilotti2 and Marco A. Pierotti2, (1)University of Trieste, Piazzale Europa 1, Trieste, 34127, Italy, (2)Istituto per lo Studio e la Cura dei Tumori, Via Venezian 1, Milan, 20133, Italy |
Where Are We in HIV Research? a Novel, Computer-Based Strategy for Predicting Resistance to HIV-1 Nnrtis
Sabrina Pricl, Marco Ferrone, Maria Silvia Paneni and Maurizio Fermeglia, University of Trieste, Piazzale Europa 1, Trieste, 34127, Italy |
Computational Quantum Chemistry for Drug Screening Using the Conjugate Capping Method for Full Protein-Inhibitor Energy Prediction
Rishi R. Gupta, University of Connecticut Storrs, 191 Auditorium Road, UNIT 3222, UTEB, Dept. of Chemical Engineering, Storrs, CT 06269 and Luke E. Achenie, University of Connecticut, Dept. of Chemical Engineering, Unit 3222, 191 Auditorium Road, Storrs, CT 06269 |
Structure and Dynamics of Lipid Membranes: How Can Simulations Aid Experiments?
Jeffery B. Klauda1, Bernard R. Brooks1 and Richard W. Pastor2, (1)Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, 50 South Dr., Bethesda, MD 20892, (2)Center for Biologics Evaluation and Research, FDA, 1401 Rockville Pike, Rockville, MD 20852 |
Influence of Anionic and Zwitterionic Membrane Interfaces on Structure of Antimicrobial Peptides and Implications on Peptide Toxicity and Activity: a Molecular Dynamics Simulation Investigation
Himanshu Khandelia, Chemical Engineering and Materials Science, University of Minnesota, #112, 421, Washington Avenue SE, Minneapolis, MN 55455 and Yiannis Kaznessis, Chemical Engineering and Materials Science, University of Minnesota, Room 151, 421 Washington Ave. SE, Minneapolis, MN 55454 |
Structural and Dynamic Properties of Mixed Bilayer Systems with Cryoprotectants
Amadeu K. Sum, Department of Chemical Engineering, Virginia Polytechnic Institute and State University, 142A Randolph Hall (0211), Blacksburg, VA 24061 |
Prediction of Pka Shifts in Proteins Using a Discrete Rotamer Search and the Rosetta Energy Function
Ryan Marques Harrison and Jeffrey J. Gray, Johns Hopkins, Chemical and Biomolecular Engineering, 3400 N. Charles St., Baltimore, MD 21218 |
A New Model for Simulation of Long DNA
Thomas A. Knotts, University of Wisconsin Madison, 1415 Engineering Drive, Madison, WI 53706, Nitin Rathore, University of Wisconsin Madison, 1415 Engineering Dr, Madison, WI 53706 and Juan J. De Pablo, Department of Chemical and Biological Engineering, University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI 53706-1691 |