Cesar A. López

发表

Visualization of the HIV-1 Env glycan shield across scales

J. Diedrich, J. Yates, S. Gnanakaran, 2019, Proceedings of the National Academy of Sciences.

Visualization of the HIV-1 Env glycan shield across scales

Srirupa Chakraborty, S Gnanakaran, John R. Yates, 2019, Proceedings of the National Academy of Sciences.

Molecular recognition of RAS/RAF complex at the membrane: Role of RAF cysteine-rich domain

Timothy Travers, S. Gnanakaran, Andrew G. Stephen, 2018, Scientific Reports.

Lipid organization of the plasma membrane.

Helgi I Ingólfsson, Helgi I. Ingólfsson, Siewert J Marrink, 2014, Journal of the American Chemical Society.

Martini Force Field Parameters for Glycolipids.

Siewert J Marrink, Alex H de Vries, S. Marrink, 2013, Journal of chemical theory and computation.

Broadly targeted CD8+ T cell responses restricted by major histocompatibility complex E

B. Korber, L. Picker, A. McMichael, 2016, Science.

Martini Force Field: Extension To Carbohydrates

Cesar A. López, 2009 .

Sequence- and structure-based computational analyses of Gram-negative tripartite efflux pumps in the context of bacterial membranes.

Timothy Travers, S. Gnanakaran, S. Gnanakaran, 2018, Research in microbiology.

Molecular view on protein sorting into liquid-ordered membrane domains mediated by gangliosides and lipid anchors.

S. Marrink, Cesar A. López, D. H. de Jong, 2013, Faraday discussions.

Asynchronous Reciprocal Coupling of Martini 2.2 Coarse-Grained and CHARMM36 All-Atom Simulations in an Automated Multiscale Framework.

Helgi I. Ingólfsson, Timothy S. Carpenter, Christopher B. Stanley, 2022, Journal of chemical theory and computation.

Disaccharides impact the lateral organization of lipid membranes.

B. Poolman, S. Marrink, Cesar A. López, 2014, Journal of the American Chemical Society.

COMPARISON OF THE PEPTIDASE ACTIVITY IN THE ONCOSPHERE EXCRETORY/SECRETORY PRODUCTS OF TAENIA SOLIUM AND TAENIA SAGINATA

Cesar A. López, R. Gilman, M. Zimic, 2007, The Journal of parasitology.

New understanding of multidrug efflux and permeation in antibiotic resistance, persistence, and heteroresistance

S. Gnanakaran, H. Zgurskaya, Cesar A. López, 2022, Annals of the New York Academy of Sciences.

Omega sign: Radiological appearance of sigmoid volvulus

Cesar A. López, K. Sahu, A. Sherif, 2019, Journal of medical imaging and radiation oncology.

Unsupervised Machine Learning for Analysis of Coexisting Lipid Phases and Domain Growth in Biological Membranes

Velimir V. Vesselinov, Sandrasegaram Gnanakaran, Boian S. Alexandrov, 2019, bioRxiv.

Letters to the Editor Diagnosis of Human Cysticercosis and Taenia asiatica

Cesar A. López, J. Vinetz, P. Sheen, 2009 .

Molecular Mechanism of Cyclodextrin Mediated Cholesterol Extraction

Cesar A. López, Siewert J. Marrink, Alex H. de Vries, 2011, PLoS Comput. Biol..

Computational microscopy of cyclodextrin mediated cholesterol extraction from lipid model membranes

S. Marrink, Cesar A. López, A. H. de Vries, 2013, Scientific Reports.

Molecular characterization of the outer membrane of Pseudomonas aeruginosa.

S. Gnanakaran, H. Zgurskaya, Cesar A. López, 2019, Biochimica et biophysica acta. Biomembranes.

Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes

L. Dijkhuizen, B. Dijkstra, Cesar A. López, 2010, Proceedings of the National Academy of Sciences.

Predictive Rules of Efflux Inhibition and Avoidance in Pseudomonas aeruginosa

N. Hengartner, P. Ruggerone, S. Gnanakaran, 2021, mBio.

Machine Learning Algorithm Identifies an Antibiotic Vocabulary for Permeating Gram-Negative Bacteria

Rachael A Mansbach, S Gnanakaran, Nicolas Hengartner, 2020, J. Chem. Inf. Model..

Dynamics of Intact MexAB-OprM Efflux Pump: Focusing on the MexA-OprM Interface

S. Gnanakaran, H. Zgurskaya, Cesar A. López, 2017, Scientific Reports.

Residue Leu940 Has a Crucial Role in the Linkage and Reaction Specificity of the Glucansucrase GTF180 of the Probiotic Bacterium Lactobacillus reuteri 180*

L. Dijkhuizen, Cesar A. López, T. Pijning, 2014, The Journal of Biological Chemistry.

Effect of Glycosylation on an Immunodominant Region in the V1V2 Variable Domain of the HIV-1 Envelope gp120 Protein

Jeff Tian, S. Gnanakaran, Bette T. Korber, 2016, PLoS Comput. Biol..

Utility of a protein fraction with cathepsin L-Like activity purified from cysticercus fluid of Taenia solium in the diagnosis of human cysticercosis.

Cesar A. López, R. Gilman, M. Zimic, 2009, The American journal of tropical medicine and hygiene.

Unveiling the Dynamics of KRAS4b on Lipid Model Membranes

S. Gnanakaran, A. Stephen, Cesar A. López, 2021, The Journal of Membrane Biology.

Uncovering a membrane-distal conformation of KRAS available to recruit RAF to the plasma membrane

Christopher B. Stanley, N. Hengartner, A. Ramanathan, 2020, Proceedings of the National Academy of Sciences.

Anionic Lipids Impact RAS-Binding Site Accessibility and Membrane Binding Affinity of CRAF RBD-CRD.

A. Garcia, S. Gnanakaran, A. Stephen, 2020, Biophysical journal.

Machine learning–driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins

Helgi I. Ingólfsson, Timothy S. Carpenter, A. Voter, 2020, Proceedings of the National Academy of Sciences.

Structure-Activity relationship in mutated pyrazinamidases from Mycobacterium tuberculosis

Cesar A. López, R. Gilman, M. Zimic, 2011, Bioinformation.

Capturing Phase Behavior of Ternary Lipid Mixtures with a Refined Martini Coarse-Grained Force Field.

Felice C Lightstone, Helgi I Ingólfsson, S Gnanakaran, 2018, Journal of chemical theory and computation.

Development of a Fragment-Based Machine Learning Algorithm for Designing Hybrid Drugs Optimized for Permeating Gram-Negative Bacteria

N. Hengartner, S. Gnanakaran, I. V. Leus, 2019, 1907.13459.

MARTINI coarse-grained model for crystalline cellulose microfibers.

S Gnanakaran, Siewert J Marrink, Paul Langan, 2015, The journal of physical chemistry. B.

The power of coarse graining in biomolecular simulations

Helgi I Ingólfsson, Helgi I. Ingólfsson, Siewert J Marrink, 2013, Wiley interdisciplinary reviews. Computational molecular science.

Membrane-mediated regulation of the intrinsically disordered CD3ϵ cytoplasmic tail of the TCR.

S Gnanakaran, Anurag Sethi, Byron Goldstein, 2015, Biophysical journal.

Molecular origins of reduced activity and binding commitment of processive cellulases and associated carbohydrate-binding proteins to cellulose III

S. Gnanakaran, Cesar A. López, Shishir P. S. Chundawat, 2021, The Journal of biological chemistry.

Multiscale Characterization of Complex Binding Interactions of Cellulolytic Enzymes Highlights Limitations of Classical Approaches

S. Gnanakaran, Cesar A. López, Shishir P. S. Chundawat, 2020, bioRxiv.

Martini Coarse-Grained Force Field: Extension to Carbohydrates.

Siewert J Marrink, Philippe H Hünenberger, Lubbert Dijkhuizen, 2009, Journal of chemical theory and computation.

Two distinct anionic phospholipid-dependent events involved in SecA-mediated protein translocation.

S. Marrink, A. Driessen, Cesar A. López, 2019, Biochimica et biophysica acta. Biomembranes.

Biophysical Characterization of a Nanodisc with and without BAX: An Integrative Study Using Molecular Dynamics Simulations and Cryo-EM.

N. Volkmann, D. Hanein, S. Gnanakaran, 2019, Structure.

Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure

Helgi I. Ingólfsson, Timothy S. Carpenter, Christopher B. Stanley, 2023, Journal of chemical theory and computation.

Exploring CRD mobility during RAS/RAF engagement at the membrane.

Timothy S. Carpenter, P. Bremer, F. Streitz, 2022, Biophysical Journal.

Development of Martini 2.2 parameters for N-glycans: A case study of the HIV-1 Env glycoprotein dynamics.

S. Gnanakaran, Srirupa Chakraborty, Cesar A. López, 2021, Glycobiology.

Membrane perturbing properties of toxin mycolactone from Mycobacterium ulcerans

Basil I. Swanson, S. Gnanakaran, Clifford J. Unkefer, 2018, PLoS Comput. Biol..

Permeability Barrier of Gram-Negative Cell Envelopes and Approaches To Bypass It.

S Gnanakaran, Helen I Zgurskaya, S. Gnanakaran, 2015, ACS infectious diseases.

Martini Coarse-Grained Force Field: Extension to DNA.

L. Dijkhuizen, D. Tieleman, S. Marrink, 2015, Journal of chemical theory and computation.

Direct Modulators of K-Ras-Membrane Interactions.

K. Shokat, Hong Liang, Yong Zhou, 2023, ACS Chemical Biology.

Amylose folding under the influence of lipids.

S. Marrink, Cesar A. López, A. H. de Vries, 2012, Carbohydrate research.

Unsupervised Machine Learning for Analysis of Phase Separation in Ternary Lipid Mixture.

S. Gnanakaran, Cesar A. López, Cesar A. Löpez, 2019, Journal of chemical theory and computation.

Amylose folding under the influence of lipids.

S. Marrink, Cesar A. López, A. H. de Vries, 2012, Carbohydrate research.