Related references
Note: Only part of the references are listed.Exploring the prominent performance of CX-4945 derivatives as protein kinase CK2 inhibitors by a combined computational study
Xuwen Wang et al.
MOLECULAR BIOSYSTEMS (2014)
Structural and Dynamic Basis of Human Cytochrome P4507B1: A Survey of Substrate Selectivity and Major Active Site Access Channels
Ying-Lu Cui et al.
CHEMISTRY-A EUROPEAN JOURNAL (2013)
Molecular Dynamic Investigations of the Mutational Effects on Structural Characteristics and Tunnel Geometry in CYP17A1
Ying-Lu Cui et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)
Noncovalent Interaction Analysis in Fluctuating Environments
Pan Wu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Highlighting a π-π interaction: a protein modeling and molecular dynamics simulation study on Anopheles gambiae glutathione S-transferase 1-2
Yan Wang et al.
JOURNAL OF MOLECULAR MODELING (2013)
Exploring the Molecular Basis of dsRNA Recognition by Mss116p Using Molecular Dynamics Simulations and Free-Energy Calculations
Qiao Xue et al.
LANGMUIR (2013)
A β-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity
Guyan Liang et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
ProDy: Protein Dynamics Inferred from Theory and Experiments
Ahmet Bakan et al.
BIOINFORMATICS (2011)
Molecular modeling studies of Rho kinase inhibitors using molecular docking and 3D-QSAR analysis
Jin Qin et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2010)
AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility
Garrett M. Morris et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
Characterization of domain-peptide interaction interface: A case study on the amphiphysin-1 SH3 domain
Tingjun Hou et al.
JOURNAL OF MOLECULAR BIOLOGY (2008)
Clustering molecular dynamics trajectories: 1. Characterizing the performance of different clustering algorithms
Jianyin Shao et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Comparison of multiple amber force fields and development of improved protein backbone parameters
Viktor Hornak et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2006)
Automatic atom type and bond type perception in molecular mechanical calculations
Junmei Wang et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2006)
Biology of mast cell tryptase - An inflammatory mediator
J Hallgren et al.
FEBS JOURNAL (2006)
H++:: a server for estimating pKas and adding missing hydrogens to macromolecules
JC Gordon et al.
NUCLEIC ACIDS RESEARCH (2005)
Design, synthesis, and biological activity of potent and selective inhibitors of mast cell tryptase
CR Hopkins et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2005)
Structural requirements and mechanism for heparin-dependent activation and tetramerization of human βI- and βII-tryptase
J Hallgren et al.
JOURNAL OF MOLECULAR BIOLOGY (2005)
Development and testing of a general amber force field
JM Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Revisiting free energy calculations: A theoretical connection to MM/PBSA and direct calculation of the association free energy
JMJ Swanson et al.
BIOPHYSICAL JOURNAL (2004)
UCSF chimera - A visualization system for exploratory research and analysis
EF Pettersen et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Formation of active monomers from tetrameric human β-tryptase
I Fajardo et al.
BIOCHEMICAL JOURNAL (2003)
Hirshfeld surfaces as approximations to interatomic surfaces
AM Pendás et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Treatment of mildly to moderately active ulcerative colitis with a tryptase inhibitor (APC 2059): an open-label pilot study
WJ Tremaine et al.
ALIMENTARY PHARMACOLOGY & THERAPEUTICS (2002)
Structural requirements and mechanism for heparin-induced activation of a recombinant mouse mast cell tryptase, mouse mast cell protease-6 - Formation of active tryptase monomers in the presence of low molecular weight heparin
J Hallgren et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2001)
The human mast cell tryptase tetramer: a fascinating riddle solved by structure
CP Sommerhoff et al.
BIOCHIMICA ET BIOPHYSICA ACTA-PROTEIN STRUCTURE AND MOLECULAR ENZYMOLOGY (2000)