Identification of Angiotensin Converting Enzyme Inhibitor: An In Silico Perspective

Insights into the molecular interactions between aminopeptidase and amyloid beta peptide using molecular modeling techniques

(2014) Maruti J. Dhanavade et al.   AMINO ACIDS

Exploring Mode of Phosphoramidon and Aβ Peptide Binding to hECE-1 by Molecular Dynamics and Docking Studies

(2014) Sagar Barage et al.   PROTEIN AND PEPTIDE LETTERS

Expanding the fragrance chemical space for virtual screening

(2014) Lars Ruddigkeit et al.   Journal of Cheminformatics

Homology modeling, molecular docking and MD simulation studies to investigate role of cysteine protease from Xanthomonas campestris in degradation of Aβ peptide

(2013) Maruti J. Dhanavade et al.   COMPUTERS IN BIOLOGY AND MEDICINE

Molecular Dynamics Simulation and Molecular Docking Studies of Angiotensin Converting Enzyme with Inhibitor Lisinopril and Amyloid Beta Peptide

(2013) Chidambar Balbhim Jalkute et al.   PROTEIN JOURNAL

Molecular simulation and docking studies of Gal1p and Gal3p proteins in the presence and absence of ligands ATP and galactose: implication for transcriptional activation of GAL genes

(2012) Sanjay K. Upadhyay et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Homology modeling, docking and molecular dynamics of the Leishmania mexicana arginase: A description of the catalytic site useful for drug design

(2012) Carlos A. Méndez-Cuesta et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Ligand discovery from a dopamine D3 receptor homology model and crystal structure

(2011) Jens Carlsson et al.   Nature Chemical Biology

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Automated Docking Screens: A Feasibility Study

(2009) John J. Irwin et al.   JOURNAL OF MEDICINAL CHEMISTRY

FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects

(2008) David Lagorce et al.   BMC BIOINFORMATICS