个人简介

Ph.D. Columbia University Ph.D., Columbia University - 1996 (Chemical Physics) M.Phil., Columbia University - 1995 (Chemical Physics) M.A., Columbia University - 1992 (Chemical Physics) B.A., University of Basilicata (Italy) - 1991 (Theoretical Chemistry)

研究领域

Physical Chemistry and Computational Molecular Biophysics

Emilio Gallicchio is former associate director of high-performance computing and research professor at the BioMaPS Research Institute at Rutgers University. He joined the Department of Chemistry at Brooklyn College in 2013. He has authored more than 56 research papers on topics ranging from quantum dynamics to HIV vaccine design, and he is the developer of several theoretical methods and software tools for the modeling of biological and chemical systems. - See more at: http://www.gc.cuny.edu/Page-Elements/Academics-Research-Centers-Initiatives/Doctoral-Programs/Chemistry/Faculty-Bios/Emilio-Gallicchio#sthash.XgvZPEOy.dpuf

近期论文

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Deng, Nan-jie; Forli, Stefano; He, Peng; Perryman, Alex; Wickstrom, Lauren; Vijayan, Suyambu Kesava Vijayan; Tiefenbrunn, Theresa; Stout, C.; Gallicchio, Emilio; Olson, Arthur; Levy, Ronald M. Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease. J. Phys. Chem B 119, 976?988 (2015). (Books and Publications: Peer Reviewed Article) 2015 Emilio Gallicchio, Haoyuan Chen, He Chen, Michael Fitzgerald, Yang Gao, Peng He, Malathi Kalyanikar, Chuan Kao, Beidi Lu, Yijie Niu, Manasi Pethe, Jie Zhu and Ronald M Levy. BEDAM Binding Free Energy Predictions for the SAMPL4 Octa-Acid Host Challenge. J. Comp. Aided Mol. Des. 29, 315-325 (2015), (Books and Publications: Peer Reviewed Article) 2015 Gallicchio, Emilio, Nanjie Deng, Peng He, Lauren Wickstrom, Alexander L. Perryman, Daniel N. Santiago, Stefano Forli, Arthur J. Olson and Ronald M. Levy. "Virtual Screening of Integrase Inhibitors by Large Scale Binding Free Energy Calculations: The SAMPL4 Challenge." Journal of Computer-Aided Molecular Design. 28, 475-490 (2014). (Books and Publications: Peer Reviewed Article) 2014 Radak, Brian K., Tai-Sung Lee, Peng He, Melissa Romanus, Ole Weidner, Wei Dai, Emilio Gallicchio, Nan-Jie Deng, Darrin M. York, Ronald M. Levy and Shantenu Jha. "A Framework for Flexible and Scalable Replica-exchange on Production Distributed CI." Proceedings of the Conference on Extreme Science and Engineering Discovery Environment. ACM. (Books and Publications: Peer Reviewed Article) 2013 Wickstrom, L., P. He, E. Gallicchio and R.M. Levy. "Large-scale Affinity Calculations of Cyclodextrin Host-guest Complexes: Understanding the Role of Reorganization in the Molecular Recognition Process." Journal of Chemical Theory and Computation 9: 3136-50. (Books and Publications: Peer Reviewed Article) 2013 Yi, Guohua, Mauro Lapelosa, Rachel Bradley, Thomas M. Mariano, Denise Elsasser Dietz, Scott Hughes, Terri Wrin, Chris Petropoulos, Emilio Gallicchio, Ronald M. Levy, Eddy Arnold and Gail Ferstandig Arnold. "Chmeric Rhinoviruses Displaying MPER Epitopes Elicit Anti-HIV Neutralizing Responses." PLoS ONE 8.9: e72205. (Books and Publications: Peer Reviewed Article) 2013 "Role of Ligand Reorganization and Conformational Restraints on the Binding Free Energies of DAPY Non-Nucleoside Inhibitors to HIV Reverse Transcriptase." Computational Molecular Bioscience 2: 7-22. (Books and Publications: Peer Reviewed Article) 2012 Bell, J.A., Y. Cao, J.R. Gunn, T. Day, E. Gallicchio, Z. Zhou, R.M. Levy and R. Farid. "PrimeX and the Schrödinger Computational Chemistry Suite of Programs." International Tables for Crystallography: 534-38. (Books and Publications: Peer Reviewed Article) 2012 Gallicchio, E. and R.M. Levy. "Prediction of SAMPL3 Host-Guest Affinities With the Binding Energy Distribution Analysis Method (BEDAM)." Journal of Computer-Aided Molecular Design 26: 505-16. (Books and Publications: Peer Reviewed Article) 2012 Lapelosa, M., E. Gallicchio and R.M. Levy. "Conformational Transitions and Convergence of Absolute Binding Free Energy Calculations." Journal of Chemical Theory and Computation 8: 44-60. JCTC Most Read Article, Q1 2012. (Books and Publications: Peer Reviewed Article) 2012 Tan, Z., E. Gallicchio, M. Lapelosa and R.M. Levy. "Theory of Binless Multi-state Free Energy Estimation With Applications to Protein-ligand Binding." Journal of Chemical Physics 136: 144102. (Books and Publications: Peer Reviewed Article) 2012 Deng, N., W. Zheng, E. Gallicchio and R.M. Levy. "Insights Into the Dynamics of HIV-1 Protease: A Kinetic Network Model Constructed From Atomistic Simulations." Journal of the American Chemical Society 133: 9387-94. (Books and Publications: Peer Reviewed Article) 2011 Gallicchio, E. and R.M. Levy. "Advances in All Atom Sampling Methods for Modeling Protein-ligand Binding Affinities." Current Opinions in Structural Biology 21: 161-66. (Books and Publications: Peer Reviewed Article) 2011 Gallicchio, Emilio and Ronald M. Levy. "Recent Theoretical and Computational Advances for Modeling Protein-Ligand Binding Affinities." Advances in Protein Chemistry and Structural Biology 85: 27-80. (Books and Publications: Peer Reviewed Article) 2011 Wickstrom, L., E. Gallicchio and R.M. Levy. "The Linear Interaction Energy Method for the Prediction of Stability Changes Upon Mutation." Proteins 80: 111-25. (Books and Publications: Peer Reviewed Article) 2011 Zheng, W., E. Gallicchio, N. Deng, M. Andrec and R.M. Levy. "Kinetic Network Study of the Diversity and Temperature Dependence of TRP-Cage Folding Pathways: Combining Transition Path Theory With Stochastic Simulations." Journal of Physical Chemistry B 115: 1512-23. (Books and Publications: Peer Reviewed Article) 2011 Gallicchio, E., M. Lapelosa and R.M. Levy. "Binding Energy Distribution Analysis Method (BEDAM) for Estimation of Protein-ligand Binding Affinities." Journal of Chemical Theory and Computation 6: 2961-77. (Books and Publications: Peer Reviewed Article) 2010 Lapelosa, M., Arnold G. Ferstandig, E. Gallicchio, E. Arnold and R.M. Levy. "Antigenic Characteristics of Rhinovirus Chimeras Designed in Silico for Enhanced Presentation of HIV-1 gp41 Epitopes." Journal of Molecular Biology 397: 752-66. (Books and Publications: Peer Reviewed Article) 2010 Gallicchio, E., K. Paris and R.M. Levy. "The AGBNP2 Implicit Solvent Model." Journal of Chemical Theory and Computation 5: 2544-64. (Books and Publications: Peer Reviewed Article) 2009 Okumura, H., E. Gallicchio and R.M. Levy. "Conformational Populations of Ligand-sized Molecules by Replica Exchange Molecular Dynamics and Temperature Reweighting." Journal of Computational Chemistry 31: 1357-67. (Books and Publications: Peer Reviewed Article) 2009