Computational design of glutamate dehydrogenase in Bacillus subtilis natto

Insights into the Mutation-Induced HHH Syndrome from Modeling Human Mitochondrial Ornithine Transporter-1

(2012) Jing-Fang Wang et al.   PLoS One

Advances in Human Cytochrome P450 and Personalized Medicine

(2011) Qi Chen et al.   CURRENT DRUG METABOLISM

A Negative Cooperativity Mechanism of Human CYP2E1 Inferred from Molecular Dynamics Simulations and Free Energy Calculations

(2011) Jue Li et al.   Journal of Chemical Information and Modeling

Insights from Modeling the 3D Structure of New Delhi Metallo-β-Lactamse and Its Binding Interactions with Antibiotic Drugs

(2011) Jing-Fang Wang et al.   PLoS One

An Allosteric Mechanism Inferred from Molecular Dynamics Simulations on Phospholamban Pentamer in Lipid Membranes

(2011) Peng Lian et al.   PLoS One

Detection of distant evolutionary relationships between protein families using theory of sequence profile-profile comparison

(2010) Mindaugas Margelevičius et al.   BMC BIOINFORMATICS

Docking and molecular dynamics studies on CYP2D6

(2010) JingFang Wang et al.   CHINESE SCIENCE BULLETIN

Molecular Dynamics Studies on T1 Lipase: Insight into a Double-Flap Mechanism

(2010) Ying Wang et al.   Journal of Chemical Information and Modeling

Reversal of coenzyme specificity and improvement of catalytic efficiency of Pichia stipitis xylose reductase by rational site-directed mutagenesis

(2009) Qi-Kai Zeng et al.   BIOTECHNOLOGY LETTERS

Novel Inhibitors Complexed with Glutamate Dehydrogenase

(2009) Ming Li et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Identification of Two Major Ammonia-Releasing Reactions Involved in Secondary Natto Fermentation

(2008) Shigeki KADA et al.   BIOSCIENCE BIOTECHNOLOGY AND BIOCHEMISTRY

The generalized Born/volume integral implicit solvent model: Estimation of the free energy of hydration using London dispersion instead of atomic surface area

(2008) Paul Labute   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular Modeling of Two CYP2C19 SNPs and Its Implications for Personalized Drug Design

(2008) Dong-Qing Wei et al.   PROTEIN AND PEPTIDE LETTERS

MUSTER: Improving protein sequence profile-profile alignments by using multiple sources of structure information

(2008) Sitao Wu et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

QMEAN: A comprehensive scoring function for model quality assessment

(2007) Pascal Benkert et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Distance-scaled, finite ideal-gas reference state improves structure-derived potentials of mean force for structure selection and stability prediction

(2002) Hongyi Zhou et al.   PROTEIN SCIENCE