MIRROR LOCATION at the School of Chemical Sciences

12) Xia, Y., De Lio, A.M., and Pogorelov, T.V. “Simulating Vibrationally-resolved Electronic Spectra Using Gaussian,” School of Chemical Sciences, UIUC, 2020. PDF

11) McKee, S.A. and Pogorelov, T.V. “Determining the pKa of Simple Molecules Using Gaussian,” School of Chemical Sciences, UIUC, 2019. PDF

10) Hallock, M. J. and Pogorelov, T. V. “Basics of membrane-protein interactions using molecular dynamics with NAMD, VMD, and CHARMM-GUI,” School of Chemical Sciences, UIUC, 2016. PDF

9) Pogorelov, T. V. “Quantum Chemistry with Gaussian using GaussView,” School of Chemical Sciences, UIUC, 2013. PDF

8) Pogorelov, T. V. “Introduction to Quantum chemistry with Spartan,” School of Chemical Sciences, UIUC, 2015. PDF

7) Pogorelov, T. V. and M. Hallock, “Introduction to Molecular Mechanics with MOE: Why GFP needs a beta-barrel shell?” School of Chemical Sciences, UIUC, 2016. PDF

6) Pogorelov, T. V. “Protein-ligand docking with Molecular Operating Environment (MOE),” School of Chemical Sciences, UIUC, 2011. PDF

5) Pogorelov, T. V. and M. Hallock, “Quantum chemistry with Gaussian: a very brief introduction II,” School of Chemical Sciences, UIUC, 2011. PDF

4) Pogorelov, T. V. and M. Hallock, “Quantum chemistry with Gaussian: a very brief introduction I,” School of Chemical Sciences, UIUC, 2011. PDF

3) Pogorelov, T. V. and M. Hallock, “Introduction to LINUX/UNIX for computational chemistry,” School of Chemical Sciences, UIUC, 2017. PDF

2) Autenrieth F., Isralewitz B., Luthey-Schulten Z., Sethi A., and  Pogorelov T., “Bioinformatics, Sequence and Structural Alignment with VMD MultiSeq” Theoretical and Computational Biophysics Group, Beckman Institute for Advanced Science and Technology,  UIUC, 2005. PDF

1) Pogorelov, T. V., “EKG QRS Detection Algorithm with Mathematica,” MathSource, Wolfram Research Inc., 1998. EKGdata, Mathematica Package, Mathematica Notebook Note: remove .txt from the file names of the last two files.