Molecular Modeling in Drug Design

Rebecca C Wade; Outi M H Salo-Ahen

doi:10.3390/molecules24020321

Molecular Modeling in Drug Design

Molecules. 2019 Jan 17;24(2):321. doi: 10.3390/molecules24020321.

Authors

Rebecca C Wade^{1

2}, Outi M H Salo-Ahen³

Affiliations

¹ Heidelberg Institute for Theoretical Studies (HITS), Schloss-Wolfsbrunnenweg 35, 69118 Heidelberg, Germany. rebecca.wade@h-its.org.
² Zentrum für Molekulare Biologie der Universität Heidelberg (ZMBH), DKFZ-ZMBH Alliance, Im Neuenheimer Feld 282, and Interdisciplinary Center for Scientific Computing (IWR), Im Neuenheimer Feld 205, 69120 Heidelberg, Germany. rebecca.wade@h-its.org.
³ Pharmaceutical Sciences Laboratory and Structural Bioinformatics Laboratory, Faculty of Science and Engineering, Åbo Akademi University, Biocity, Tykistökatu 6 A, FI 20520 Turku, Finland. outi.salo-ahen@abo.fi.

Abstract

This Special Issue contains thirteen articles that provide a vivid snapshot of the state-of-the-art of molecular modeling in drug design, illustrating recent advances and critically discussing important challenges [...].

Publication types

Editorial
Introductory Journal Article

MeSH terms

Drug Design*
Drug Evaluation, Preclinical
Humans
Models, Molecular*
Molecular Docking Simulation
Molecular Dynamics Simulation
Receptors, G-Protein-Coupled / metabolism

Substances

Receptors, G-Protein-Coupled