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.
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.
Why Steered Molecular Dynamics? - Accelerates processes to simulation time scales (ns) -Yields explanations of biopolymer mechanics - Complements Atomic.
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.
Mechanical Functions of Proteins Studied by Atomic Force Microscopy
SMALL MOLECULE COMPUTATIONAL CHEMISTRY for COMPUTATIONAL BIOLOGY and MACROMOLECULAR MODELING
Computation and computational thinking in Chemistry
Steered Molecular Dynamics Introduction and Examples