This article introduces MMFF94, the initial published version of the Merck molecular force field (MMFF). It describes the objectives set for MMFF, the form it takes, and the ran...
This article defines the parameterization and performance of MMFF94 for intermolecular interactions. It specifies the novel “buffered” functional forms used for treating van der...
This article describes the parameterization and performance of MMFF94 for molecular geometries and deformations. It defines the form used for the valence-coordinate terms that r...
This article describes the extension of the Merck Molecular Force Field (MMFF94) to a much broader range of organic systems. It also describes a preliminary parameterization of ...
Unlike other methods for docking ligands to the rigid 3D structure of a known protein receptor, Glide approximates a complete systematic search of the conformational, orientatio...
Glide's ability to identify active compounds in a database screen is characterized by applying Glide to a diverse set of nine protein receptors. In many cases, two, or even thre...
Abstract We provide an overview of the IMPACT molecular mechanics program with an emphasis on recent developments and a description of its current functionality. With respect to...
h-index: Number of publications with at least h citations each.