Journal of Molecular Graphics and Modelling

Automatic atom type and bond type perception in molecular mechanical calculations

Junmei Wang, Wei Wang, Peter A. Kollman et al. · 2006 · 5.6K citations

Natural Sciences, Chemistry, Physics +13

Beware of q2!

Alexander Golbraikh, Alexander Tropsha · 2002 · 3.7K citations

Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm

Tian Lu, Feiwu Chen · 2012 · 2.7K citations

Natural Sciences, Chemistry, Computer Science +16

XCrySDen—a new program for displaying crystalline structures and electron densities

Anton Kokalj · 1999 · 1.8K citations

Natural Sciences, Materials Engineering, Materials Science +16

An extensively modified version of MolScript that includes greatly enhanced coloring capabilities

Robert Esnouf · 1997 · 1.7K citations

Computing, Computer Science, Computer Graphics +7