What Makes a Good Pore Former: A Study of Synthetic Melittin Derivatives

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

Natural Sciences, Chemistry, Physics +17

Canonical dynamics: Equilibrium phase-space distributions

William G. Hoover · Physical review. A, General physics · 1985 · 23.3K citations

Natural Sciences, Physics, Dynamical Systems +14

Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical features

Wolfgang Kabsch, Christian Sander · Biopolymers · 1983 · 15.7K citations · Full text

Life Sciences, Biochemistry, Biophysics +17

CHARMM‐GUI: A web‐based graphical user interface for CHARMM

Sunhwan Jo, Taehoon Kim, Vidyashankara Iyer et al. · Journal of Computational Chemistry · 2008 · 9.7K citations

Natural Sciences, Biophysics, Chemistry +17

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

Daniel R. Roe, Thomas E. Cheatham · Journal of Chemical Theory and Computation · 2013 · 7.6K citations

Natural Sciences, Biophysics, Chemistry +16