NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute, UIUC Charm++ Hits and Misses A NAMD Perspective.
BioCoRE and GEMS: Cyber Infrastructure for Cyber Chemistry Jesús A. Izaguirre Computer Science & Engineering University of Notre Dame with Kirby Vandivort.
Asymmetric ion track nanopores with highly-tapered profile: geometrical and current-voltage characteristics P.Yu. Apel 1, I.V. Blonskaya 1, S.N. Dmitriev.
Deca-Alanine Stretching Free Energy Calculation from Steered Molecular Dynamics Simulations Using Jarzynski’s Eqaulity Sanghyun Park May, 2002.
Effective Mentoring of Undergraduate and Graduate Students Carla Mattos Department of Molecular and Structural Biochemistry North Carolina State University.
SMALL MOLECULE COMPUTATIONAL CHEMISTRY for COMPUTATIONAL BIOLOGY and MACROMOLECULAR MODELING
Computation and computational thinking in Chemistry
Steered Molecular Dynamics Introduction and Examples
Demonstration: Using NAMD
NAMD Algorithms and HPC Functionality
A_Molecular_Approach_B_L_U_E_V_E_R_S_I_O_N.pdf
BTRC for Macromolecular Modeling and Bioinformatics Beckman Institute, UIUC 1 Analysis and Visualization Algorithms in VMD David.
