Remarkable similarity in Plasmodium falciparum and Plasmodium vivax geranylgeranyl diphosphate synthase dynamics and its implication for antimalarial drug design

POVME 3.0: Software for Mapping Binding Pocket Flexibility

(2017) Jeffrey R. Wagner et al.   Journal of Chemical Theory and Computation

Dynamic Structure and Inhibition of a Malaria Drug Target: Geranylgeranyl Diphosphate Synthase

(2016) Clarisse G. Ricci et al.   BIOCHEMISTRY

Modeling the effect of pathogenic mutations on the conformational landscape of protein kinases

(2016) Giorgio Saladino et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

UniProt: the universal protein knowledgebase

(2016)   NUCLEIC ACIDS RESEARCH

FR-900098, an antimalarial development candidate that inhibits the non-mevalonate isoprenoid biosynthesis pathway, shows no evidence of acute toxicity and genotoxicity

(2016) Jochen Wiesner et al.   Virulence

Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy Calculation

(2015) Yinglong Miao et al.   Journal of Chemical Theory and Computation

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

Towards a Molecular Understanding of the Link between Imatinib Resistance and Kinase Conformational Dynamics

(2015) Silvia Lovera et al.   PLoS Computational Biology

Drug Resistance Mutations Alter Dynamics of Inhibitor-Bound HIV-1 Protease

(2014) Yufeng Cai et al.   Journal of Chemical Theory and Computation

SWISS-MODEL: modelling protein tertiary and quaternary structure using evolutionary information

(2014) Marco Biasini et al.   NUCLEIC ACIDS RESEARCH

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

Long Time Scale GPU Dynamics Reveal the Mechanism of Drug Resistance of the Dual Mutant I223R/H275Y Neuraminidase from H1N1-2009 Influenza Virus

(2012) Christopher J. Woods et al.   BIOCHEMISTRY

The Need for New Antimalarial Drugs Less Prone to Resistance

(2012) Harald Noedl   CURRENT PHARMACEUTICAL DESIGN

The Different Flexibility of c-Src and c-Abl Kinases Regulates the Accessibility of a Druggable Inactive Conformation

(2012) Silvia Lovera et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations

(2012) R. Anandakrishnan et al.   NUCLEIC ACIDS RESEARCH

Lipophilic analogs of zoledronate and risedronate inhibit Plasmodium geranylgeranyl diphosphate synthase (GGPPS) and exhibit potent antimalarial activity

(2012) J. H. No et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Lipophilic Bisphosphonates Are Potent Inhibitors of Plasmodium Liver-Stage Growth

(2010) A. P. Singh et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Artemisinin resistance: current status and scenarios for containment

(2010) Arjen M. Dondorp et al.   NATURE REVIEWS MICROBIOLOGY

Protein structure homology modeling using SWISS-MODEL workspace

(2009) Lorenza Bordoli et al.   Nature Protocols

QMEAN server for protein model quality estimation

(2009) Pascal Benkert et al.   NUCLEIC ACIDS RESEARCH

Bisphosphonate Inhibition of aPlasmodiumFarnesyl Diphosphate Synthase and a General Method for Predicting Cell-Based Activity from Enzyme Data

(2008) Dushyant Mukkamala et al.   JOURNAL OF MEDICINAL CHEMISTRY