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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function | | 1998 | 7.5K |
Patterns in Hydrogen Bonding: Functionality and Graph Set Analysis in Crystals | Angewandte Chemie International Edition in English | 1995 | 7.2K |
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings | Advanced Drug Delivery Reviews | 1997 | 7.2K |
Crystal structure of the nucleosome core particle at 2.8 A resolution | Nature | 1997 | 6.9K |
Inference of macromolecular assemblies from crystalline state | Journal of Molecular Biology | 2007 | 6.7K |
Selective gas adsorption and separation in metal-organic frameworks | Chemical Society Reviews | 2009 | 6.6K |
Estimation of the surface free energy of polymers | Journal of Applied Polymer Science | 1969 | 6.4K |
p53, the cellular gatekeeper for growth and division | Cell | 1997 | 6.4K |
MOLMOL: a program for display and analysis of macromolecular structures | Journal of Molecular Graphics | 1996 | 6.3K |
Nonionic Triblock and Star Diblock Copolymer and Oligomeric Surfactant Syntheses of Highly Ordered, Hydrothermally Stable, Mesoporous Silica Structures | Journal of the American Chemical Society | 1998 | 5.8K |
In situ click chemistry generation of cyclooxygenase-2 inhibitors | Nature Communications | 2017 | 5.4K |
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model | The Journal of Physical Chemistry | 1993 | 5.3K |
Development and validation of a genetic algorithm for flexible docking | Journal of Molecular Biology | 1997 | 5K |
Fluorine in medicinal chemistry | Chemical Society Reviews | 2008 | 5K |
The green fluorescent protein | Annual Review of Biochemistry | 1998 | 4.9K |
Ionic Liquids-New "Solutions" for Transition Metal Catalysis | Angewandte Chemie - International Edition | 2000 | 4.8K |