Related references
Note: Only part of the references are listed.PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
Daniel R. Roe et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
DENGUE VIRUS Two hosts, two structures
Felix A. Rey
NATURE (2013)
Inhibitors of Tick-Borne Flavivirus Reproduction from Structure-Based Virtual Screening
Dmitry I. Osolodkin et al.
ACS MEDICINAL CHEMISTRY LETTERS (2013)
A molecular model and Monte Carlo simulation of flavivirus envelope building block
Dmitry I. Osolodkin et al.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS (2012)
Novel approaches to flavivirus drug discovery
Carolyn Botting et al.
EXPERT OPINION ON DRUG DISCOVERY (2012)
FRED and HYBRID docking performance on standardized datasets
Mark McGann
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2012)
Neuroinvasive flavivirus infections
Gregorius J. Sips et al.
REVIEWS IN MEDICAL VIROLOGY (2012)
Small-Molecule Inhibitors of Dengue-Virus Entry
Aaron G. Schmidt et al.
PLOS PATHOGENS (2012)
Molecular mechanisms of flavivirus membrane fusion
Karin Stiasny et al.
AMINO ACIDS (2011)
Role of pH on dimeric interactions for DENV envelope protein: An insight from molecular dynamics study
Kshatresh Dutta Dubey et al.
BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2011)
An investigation of phenylthiazole antiflaviviral agents
Abdelrahman S. Mayhoub et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2011)
Small molecule HIV entry inhibitors: Part II. Attachment and fusion inhibitors: 2004-2010
Inder Pal Singh et al.
EXPERT OPINION ON THERAPEUTIC PATENTS (2011)
Targeting Cell Entry of Enveloped Viruses as an Antiviral Strategy
Elodie Teissier et al.
MOLECULES (2011)
Probing the Mechanism of pH-Induced Large-Scale Conformational Changes in Dengue Virus Envelope Protein Using Atomistic Simulations
Meher K. Prakash et al.
BIOPHYSICAL JOURNAL (2010)
Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database
Paul C. D. Hawkins et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)
GAG-binding variants of tick-borne encephalitis virus
L. I. Kozlovskaya et al.
VIROLOGY (2010)
A Small-Molecule Dengue Virus Entry Inhibitor
Qing-Yin Wang et al.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY (2009)
In silico screening of small molecule libraries using the dengue virus envelope E protein has identified compounds with antiviral activity against multiple flaviviruses
Thorsten Kampmann et al.
ANTIVIRAL RESEARCH (2009)
Tick-borne encephalitis virus - a review of an emerging zoonosis
K. L. Mansfield et al.
JOURNAL OF GENERAL VIROLOGY (2009)
Antiviral Compounds Discovered by Virtual Screening of Small-Molecule Libraries against Dengue Virus E Protein
Zhigang Zhou et al.
ACS CHEMICAL BIOLOGY (2008)
Histidine protonation and the activation of viral fusion proteins
Daniela S. Mueller et al.
BIOCHEMICAL SOCIETY TRANSACTIONS (2008)
Identification of specific histidines as pH sensors in flavivirus membrane fusion
Richard Fritz et al.
JOURNAL OF CELL BIOLOGY (2008)
Design, synthesis, and biological evaluation of antiviral agents targeting flavivirus envelope proteins
Ze Li et al.
JOURNAL OF MEDICINAL CHEMISTRY (2008)
Viral membrane fusion
Stephen C. Harrison
NATURE STRUCTURAL & MOLECULAR BIOLOGY (2008)
Increased Recognition of Powassan Encephalitis in the United States, 1999-2005
Steven R. Hinten et al.
VECTOR-BORNE AND ZOONOTIC DISEASES (2008)
Clustal W and clustal X version 2.0
M. A. Larkin et al.
BIOINFORMATICS (2007)
Virus membrane fusion
Winfried Weissenhorn et al.
FEBS LETTERS (2007)
Combinatorial Computational Approaches to Identify Tetracycline Derivatives as Flavivirus Inhibitors
Jinn-Moon Yang et al.
PLOS ONE (2007)
Crystal structure of the West Nile virus envelope glycoprotein
Grant E. Nybakken et al.
JOURNAL OF VIROLOGY (2006)
Comparison of multiple amber force fields and development of improved protein backbone parameters
Viktor Hornak et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2006)
Crystal structure of West Nile virus envelope glycoprotein reveals viral surface epitopes
Ryuta Kanai et al.
JOURNAL OF VIROLOGY (2006)
Flavivirus membrane fusion
Karin Stiasny et al.
JOURNAL OF GENERAL VIROLOGY (2006)
The role of histidine residues in low-pH-mediated viral membrane fusion
Thorsten Kampmann et al.
STRUCTURE (2006)
Very fast empirical prediction and rationalization of protein pKa values
H Li et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2005)
Development and testing of a general amber force field
JM Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
A ligand-binding pocket in the dengue virus envelope glycoprotein
Y Modis et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2003)
Gaussian docking functions
MR McGann et al.
BIOPOLYMERS (2003)
Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation
A Jakalian et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)
Combining conformational flexibility and continuum electrostatics for calculating pKas in proteins
RE Georgescu et al.
BIOPHYSICAL JOURNAL (2002)
Strategies in the design of antiviral drugs
E De Clercq
NATURE REVIEWS DRUG DISCOVERY (2002)
Detailed analysis of scoring functions for virtual screening
M Stahl et al.
JOURNAL OF MEDICINAL CHEMISTRY (2001)
Deciphering common failures in molecular docking of ligand-protein complexes
GM Verkhivker et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2000)