Related references
Note: Only part of the references are listed.Halogen-water-hydrogen bridges in biomolecules
Peng Zhou et al.
JOURNAL OF STRUCTURAL BIOLOGY (2010)
Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design
Yunxiang Lu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)
The Nature of Halogen•••Halogen Interactions: A Model Derived from Experimental Charge-Density Analysis
Thai Thanh Thu Bui et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Evidence for C-Cl/C-Br center dot center dot center dot pi Interactions as an Important Contribution to Protein-Ligand Binding Affinity
Hans Matter et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Halogen bonding: Recent advances
Marc Fourmigue
CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE (2009)
Fluorine Bonding - How Does It Work In Protein-Ligand Interactions?
Peng Zhou et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
Ab Initio Calculations on Halogen-Bonded Complexes and Comparison with Density Functional Methods
Yun-Xiang Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
Halogen Bonding-A Novel Interaction for Rational Drug Design?
Yunxiang Lu et al.
JOURNAL OF MEDICINAL CHEMISTRY (2009)
Halogen/π interaction and cooperativity effect between dihalogen molecules and unsaturated hydrocarbons: An ab initio study
Lin Xu et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)
C-X•••H Contacts in Biomolecular Systems: How They Contribute to Protein-Ligand Binding Affinity
Yunxiang Lu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Evaluation of true energy of halogen bonding in the crystals of halogen derivatives of trityl alcohol
Oleg V. Shishkin
CHEMICAL PHYSICS LETTERS (2008)
Insights into the strength and origin of halogen bonding: The halobenzene-formaldehyde dimer
Kevin E. Riley et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
An overview of halogen bonding
Peter Politzer et al.
JOURNAL OF MOLECULAR MODELING (2007)
Halogen bonding:: the σ-hole
Timothy Clark et al.
JOURNAL OF MOLECULAR MODELING (2007)
Comparison of multiple amber force fields and development of improved protein backbone parameters
Viktor Hornak et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2006)
Probing the subpockets of factor Xa reveals two binding modes for inhibitors based on a 2-carboxyindole scaffold:: A study combining structure-activity relationship and X-ray crystallography
M Nazaré et al.
JOURNAL OF MEDICINAL CHEMISTRY (2005)
Benchmark databases for nonbonded interactions and their use to test density functional theory
Y Zhao et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)
Halogen bonding based recognition processes: A world parallel to hydrogen bonding
P Metrangolo et al.
ACCOUNTS OF CHEMICAL RESEARCH (2005)
2-anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: Synthesis, SAR analysis, X-ray crystallography, and biological activity
SD Wang et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Development and testing of a general amber force field
JM Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Halogen bonds in biological molecules
P Auffinger et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)
3-aminopyrazole inhibitors of CDK2/cyclin A as antitumor agents. 1. Lead finding
P Pevarello et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Alternative binding modes of an inhibitor to two different kinases
E De Moliner et al.
EUROPEAN JOURNAL OF BIOCHEMISTRY (2003)
Hydrogen bridges in crystal engineering: Interactions without borders
GR Desiraju
ACCOUNTS OF CHEMICAL RESEARCH (2002)
Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: Aqueous solution free energies of methanol and N-methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/water partition coefficients of the nucleic acid bases
P Cieplak et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2001)
Selectivity of 4,5,6,7-tetrabromobenzotriazole, an ATP site-directed inhibitor of protein kinase CK2 ('casein kinase-2')
S Sarno et al.
FEBS LETTERS (2001)
Polarizable force fields
TA Halgren et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2001)
Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models
PA Kollman et al.
ACCOUNTS OF CHEMICAL RESEARCH (2000)
Cyclin-dependent kinases inhibitors as potential anticancer, antineurodegenerative, antiviral and antiparasitic agents
L Meijer
DRUG RESISTANCE UPDATES (2000)