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

Investigation into Adamantane-Based M2 Inhibitors with FB-QSAR

(2012) Hang Wei et al.   Medicinal Chemistry

The structure of phospholamban and its MD simulations

(2010) Bei Tang et al.   CHINESE SCIENCE BULLETIN

Molecular dynamics simulations exploring drug resistance in HIV-1 proteases

(2010) Hui Gu et al.   CHINESE SCIENCE BULLETIN

Recent Progress on Computer-Aided Inhibitor Design of H5N1 Influenza A Virus

(2010) Xiaoli Guo et al.   Current Computer-Aided Drug Design

Molecular Modeling of Cytochrome P450 and Drug Metabolism

(2010) Jing-Fang Wang et al.   CURRENT DRUG METABOLISM

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

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

Emergence of a new antibiotic resistance mechanism in India, Pakistan, and the UK: a molecular, biological, and epidemiological study

(2010) Karthikeyan K Kumarasamy et al.   LANCET INFECTIOUS DISEASES

Designing Inhibitors of M2 Proton Channel against H1N1 Swine Influenza Virus

(2010) Qi-Shi Du et al.   PLoS One

Insights from studying the mutation-induced allostery in the M2 proton channel by molecular dynamics

(2010) J.-F. Wang et al.   PROTEIN ENGINEERING DESIGN & SELECTION

Characterization of a New Metallo- -Lactamase Gene, blaNDM-1, and a Novel Erythromycin Esterase Gene Carried on a Unique Genetic Structure in Klebsiella pneumoniae Sequence Type 14 from India

(2009) D. Yong et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Insight into the molecular switch mechanism of human Rab5a from molecular dynamics simulations

(2009) Jing-Fang Wang et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Insights from investigating the interactions of adamantane-based drugs with the M2 proton channel from the H1N1 swine virus

(2009) Jing-Fang Wang et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

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

β -Lactamases- the Threat Renews

(2009) David Livermore   CURRENT PROTEIN & PEPTIDE SCIENCE

Multidrug-Resistant Gram-Negative Infections

(2009) Helen Giamarellou et al.   DRUGS

Energetic analysis of the two controversial drug binding sites of the M2 proton channel in influenza A virus

(2009) Qi-Shi Du et al.   JOURNAL OF THEORETICAL BIOLOGY

Binding of CYP2C9 with Diverse Drugs and its Implications for Metabolic Mechanism

(2009) Jing-Fang Wang et al.   Medicinal Chemistry

Binding Mechanism of H5N1 Influenza Virus Neuraminidase with Ligands and its Implication for Drug Design

(2009) Ke Gong et al.   Medicinal Chemistry

Possible Drug Candidates for Alzheimers Disease Deduced from Studying their Binding Interactions with α7 Nicotinic Acetylcholine Receptor

(2009) Ruo-Xu Gu et al.   Medicinal Chemistry

Role of structural bioinformatics and traditional Chinese medicine databases in pharmacogenomics

(2009) Jing-Fang Wang et al.   PHARMACOGENOMICS

Molecular dynamics studies on the interactions of PTP1B with inhibitors: from the first phosphate-binding site to the second one

(2009) Jing-Fang Wang et al.   PROTEIN ENGINEERING DESIGN & SELECTION

Structural flexibility and interactions of PTP1B’s S-loop

(2009) Jing-Fang Wang et al.   Interdisciplinary Sciences-Computational Life Sciences

An in-depth analysis of the biological functional studies based on the NMR M2 channel structure of influenza A virus

(2008) Ri-Bo Huang et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Novel potent and highly selective human A3 adenosine receptor antagonists belonging to the 4-amido-2-arylpyrazolo[3,4-c]quinoline series: Molecular docking analysis and pharmacological studies

(2008) Vittoria Colotta et al.   BIOORGANIC & MEDICINAL CHEMISTRY

I-TASSER server for protein 3D structure prediction

(2008) Yang Zhang   BMC BIOINFORMATICS

Structure of Cytochrome P450s and Personalized Drug

(2008) Jing-Fang Wang et al.   CURRENT MEDICINAL CHEMISTRY

Pharmacogenomics and Personalized Use of Drugs

(2008) Jing-Fang Wang et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Metallo-β-lactamases in Gram-negative bacteria: introducing the era of pan-resistance?

(2008) Helen C. Maltezou   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Receptor independent and receptor dependent CoMSA modeling with IVE-PLS: application to CBG benchmark steroids and reductase activators

(2008) Tomasz Magdziarz et al.   JOURNAL OF MOLECULAR MODELING

Structural and dynamic roles of permanent water molecules in ligand molecular recognition by chicken liver bile acid binding protein

(2008) Piero Ricchiuto et al.   JOURNAL OF MOLECULAR RECOGNITION

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

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

The Three-Dimensional Structure of VIM-2, a Zn-β-Lactamase from Pseudomonas aeruginosa in Its Reduced and Oxidised Form

(2007) I. Garcia-Saez et al.   JOURNAL OF MOLECULAR BIOLOGY

QMEAN: A comprehensive scoring function for model quality assessment

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