Related references
Note: Only part of the references are listed.Task-Parallel Message Passing Interface Implementation of Autodock4 for Docking of Very Large Databases of Compounds Using High-Performance Super-Computers
Barbara Collignon et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
DockoMatic: Automated Peptide Analog Creation for High Throughput Virtual Screening
Reed B. Jacob et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Molecular Docking of Aromatase Inhibitors
Naravut Suvannang et al.
MOLECULES (2011)
ePMV Embeds Molecular Modeling into Professional Animation Software Environments
Graham T. Johnson et al.
STRUCTURE (2011)
VSDocker: a tool for parallel high-throughput virtual screening using AutoDock on Windows-based computer clusters
Nikita D. Prakhov et al.
BIOINFORMATICS (2010)
digital briefs
LAUREN K. WOLF
CHEMICAL & ENGINEERING NEWS (2010)
Role of Basic Residues within or near the Predicted Transmembrane Helix 2 of the Human Breast Cancer Resistance Protein in Drug Transport
Xiaokun Cai et al.
JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS (2010)
Opal web services for biomedical applications
Jingyuan Ren et al.
NUCLEIC ACIDS RESEARCH (2010)
MOLA: a bootable, self-configuring system for virtual screening using AutoDock4/Vina on computer clusters
Rui MV Abreu et al.
Journal of Cheminformatics (2010)
Computational Investigation of the Anti-HIV Activity of Chinese Medicinal Formula Three-Huang Powder
Jack Z. Hu et al.
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES (2010)
American Cancer Society Perspectives on Environmental Factors and Cancer
Elizabeth T. H. Fontham et al.
CA-A CANCER JOURNAL FOR CLINICIANS (2009)
In silico selection of RNA aptamers
Yaroslav Chushak et al.
NUCLEIC ACIDS RESEARCH (2009)
Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock
Zsolt Bikadi et al.
JOURNAL OF CHEMINFORMATICS (2009)
DOVIS: an implementation for high-throughput virtual screening using AutoDock
Shuxing Zhang et al.
BMC BIOINFORMATICS (2008)
DOVIS 2.0: an efficient and easy to use parallel virtual screening tool based on AutoDock 4.0
Xiaohui Jiang et al.
CHEMISTRY CENTRAL JOURNAL (2008)
Volatile Anesthetic Binding to Proteins Is Influenced by Solvent and Aliphatic Residues
John H. Streiff et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2008)
MedusaScore: An accurate force field-based scoring function for virtual drug screening
Shuangye Yin et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2008)
WinDock: Structure-based drug discovery on windows-based PCs
Zengjian Hu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
BDT:: an easy-to-use front-end application for automation of massive docking tasks and complex docking strategies with AutoDock
Montserrat Vaque et al.
BIOINFORMATICS (2006)
A knowledge-based energy function for protein-ligand, protein-protein, and protein-DNA complexes
C Zhang et al.
JOURNAL OF MEDICINAL CHEMISTRY (2005)
ZINC - A free database of commercially available compounds for virtual screening
JJ Irwin et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2005)
3DCoffee: Combining protein sequences and structures within multiple sequence alignments
O O'Sullivan et al.
JOURNAL OF MOLECULAR BIOLOGY (2004)
Further development and validation of empirical scoring functions for structure-based binding affinity prediction
RX Wang et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2002)
Share Paper
