ot14@columbia.edu

Staff Scientist at The Scripps Research Institute, Molecular Graphics Lab

Résumé: PDF

Software:

• AutoDock Vina: new drug-discovery software for molecular docking and virtual screening, offering multi-core capability, high performance and enhanced ease of use.
• O'Chess: a hobby project of mine and probably one of the shortest complete chess programs. O'Chess is written in O'Caml.
• Predict S²: artificial neural network-based prediction of local protein rigidity from structure.

• O. Trott, A. J. Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, Journal of Computational Chemistry 31 (2010) 455-461
• O. Trott, K. Siggers, B. Rost, A. G. Palmer, Protein conformational flexibility prediction using machine learning, Journal of Magnetic Resonance 192 (2008) 37-47
• O. Trott, Ph.D. Thesis: Protein dynamics and its prediction using machine learning, Columbia University (2004)
• O. Trott, A. G. Palmer, Theoretical study of R_1ρ rotating-frame and R₂ free-precession relaxation in the presence of n-site chemical exchange, Journal of Magnetic Resonance 170 (2004) 104-112
• O. Trott, D. Abergel, A. G. Palmer, An average-magnetization analysis of R_1ρ relaxation outside of the fast-exchange limit, Molecular Physics 101-6 (2003) 753-763
• L. Vugmeyster, O. Trott, C. J. McKnight, D. P. Raleigh, A. G. Palmer, Temperature-dependent dynamics of the villin headpiece helical subdomain, an unusually small thermostable protein, Journal of Molecular Biology 320 (2002) 841-854
• O. Trott, A. G. Palmer, R_1ρ relaxation outside of the fast-exchange limit, Journal of Magnetic Resonance 154 (2002) 157-160