Related references
Note: Only part of the references are listed.Modeling Binding with Large Conformational Changes: Key Points in Ensemble-Docking Approaches
Stefano Motta et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2017)
POVME 3.0: Software for Mapping Binding Pocket Flexibility
Jeffrey R. Wagner et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Target the More Druggable Protein States in a Highly Dynamic Protein-Protein Interaction System
Zuojun Guo et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2016)
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Edward Harder et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Enhancing Virtual Screening Performance of Protein Kinases with Molecular Dynamics Simulations
Tavina L. Offutt et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2016)
Innovation in the pharmaceutical industry: New estimates of R&D costs
Joseph A. DiMasi et al.
JOURNAL OF HEALTH ECONOMICS (2016)
Role of Molecular Dynamics and Related Methods in Drug Discovery
Marco De Vivo et al.
JOURNAL OF MEDICINAL CHEMISTRY (2016)
Structure of the E6/E6AP/p53 complex required for HPV-mediated degradation of p53
Denise Martinez-Zapien et al.
NATURE (2016)
Flavonol and imidazole derivatives block HPV16 E6 activities and reactivate apoptotic pathways in HPV+ cells
C-H Yuan et al.
CELL DEATH & DISEASE (2016)
Molecular Probing of the HPV-16 E6 Protein Alpha Helix Binding Groove with Small Molecule Inhibitors
Anne Rietz et al.
PLOS ONE (2016)
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
Samuel Genheden et al.
EXPERT OPINION ON DRUG DISCOVERY (2015)
An overview of early investigational drugs for the treatment of human papilloma virus infection and associated dysplasia
Lynne Hampson et al.
EXPERT OPINION ON INVESTIGATIONAL DRUGS (2015)
ZINC 15-Ligand Discovery for Everyone
Teague Sterling et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
James A. Maier et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
In silico mechanistic analysis of IRF3 inactivation and high-risk HPV E6 species-dependent drug response
Masaud Shah et al.
SCIENTIFIC REPORTS (2015)
UniProt: a hub for protein information
Alex Bateman et al.
NUCLEIC ACIDS RESEARCH (2015)
Identification and Characterization of Small Molecule Human Papillomavirus E6 Inhibitors
Kimberly A. Malecka et al.
ACS CHEMICAL BIOLOGY (2014)
Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances
Evanthia Lionta et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2014)
Results of a phase II randomized, double-blind, placebo-controlled trial of Polyphenon E in women with persistent high-risk HPV infection and low-grade cervical intraepithelial neoplasia
Francisco A. R. Garcia et al.
GYNECOLOGIC ONCOLOGY (2014)
Assessing an Ensemble Docking-Based Virtual Screening Strategy for Kinase Targets by Considering Protein Flexibility
Sheng Tian et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
Luteolin induces intrinsic apoptosis via inhibition of E6/E7 oncogenes and activation of extrinsic and intrinsic signaling pathways in HPV-18-associated cells
Sunyoung Ham et al.
ONCOLOGY REPORTS (2014)
The E6AP Binding Pocket of the HPV16 E6 Oncoprotein Provides a Docking Site for a Small Inhibitory Peptide Unrelated to E6AP, Indicating Druggability of E6
Katia Zanier et al.
PLOS ONE (2014)
Clearance of Cervical Human Papillomavirus Infection by Topical Application of Curcumin and Curcumin Containing Polyherbal Cream: A Phase II Randomized Controlled Study
Partha Basu et al.
ASIAN PACIFIC JOURNAL OF CANCER PREVENTION (2013)
Structure Based Identification and Characterization of Flavonoids That Disrupt Human Papillomavirus-16 E6 Function
Jonathan J. Cherry et al.
PLOS ONE (2013)
Structural Basis for Hijacking of Cellular LxxLL Motifs by Papillomavirus E6 Oncoproteins
Katia Zanier et al.
SCIENCE (2013)
MMPBSA.py: An Efficient Program for End-State Free Energy Calculations
Bill R. Miller et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Solution Structure Analysis of the HPV16 E6 Oncoprotein Reveals a Self-Association Mechanism Required for E6-Mediated Degradation of p53
Katia Zanier et al.
STRUCTURE (2012)
Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations
Tingjun Hou et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa Predictions
Mats H. M. Olsson et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Structural Survey of Zinc-Containing Proteins and Development of the Zinc AMBER Force Field (ZAFF)
Martin B. Peters et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility
Garrett M. Morris et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
The human papillomavirus E7 oncoprotein
Margaret E. McLaughlin-Drubin et al.
VIROLOGY (2009)
Rapid estimation of relative protein-ligand binding affinities using a high-throughput version of MM-PBSA
Scott P. Brown et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
GARDASIL®:: Prophylactic human papillomavirus vaccine development -: From bench top to bed-side
L. Shi et al.
CLINICAL PHARMACOLOGY & THERAPEUTICS (2007)
Statistical potential for assessment and prediction of protein structures
Min-Yi Shen et al.
PROTEIN SCIENCE (2006)
Bio3d: an R package for the comparative analysis of protein structures
Barry J. Grant et al.
BIOINFORMATICS (2006)
Identification of inhibitors to papillomavirus type 16 E6 protein based on three-dimensional structures of interacting proteins
James D. Baleja et al.
ANTIVIRAL RESEARCH (2006)
Inhibition of papillomavirus protein function in cervical cancer cells by intrabody targeting
H Griffin et al.
JOURNAL OF MOLECULAR BIOLOGY (2006)
The many roles of computation in drug discovery
WL Jorgensen
SCIENCE (2004)
Development and testing of a general amber force field
JM Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Design and characterization of helical peptides that inhibit the E6 protein of papillornavirus
YQ Liu et al.
BIOCHEMISTRY (2004)
UCSF chimera - A visualization system for exploratory research and analysis
EF Pettersen et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Exploring protein native states and large-scale conformational changes with a modified generalized born model
A Onufriev et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2004)
Domain substructure of HPV E6 oncoprotein:: Biophysical characterization of the E6 C-terminal DNA-binding domain
Y Nominé et al.
BIOCHEMISTRY (2003)
A fast and elitist multiobjective genetic algorithm: NSGA-II
K Deb et al.
IEEE TRANSACTIONS ON EVOLUTIONARY COMPUTATION (2002)
Virtual screening in lead discovery: A viewpoint
TL Oprea
MOLECULES (2002)
Share Paper
