A. Ivetac

发表

Coarse-grained molecular dynamics simulations of membrane proteins and peptides.

Syma Khalid, Peter J Bond, Anthony Ivetac, 2007, Journal of structural biology.

Molecular recognition in the case of flexible targets.

J. Mccammon, A. Ivetac, J. McCammon, 2011, Current pharmaceutical design.

Mapping the Druggable Allosteric Space of G-Protein Coupled Receptors: a Fragment-Based Molecular Dynamics Approach

J. Andrew McCammon, A. Ivetac, 2010, Chemical biology & drug design.

Coarse-grained MD simulations of membrane protein-bilayer self-assembly.

Syma Khalid, Peter J Bond, Anthony Ivetac, 2008, Structure.

Characterization of a clinical polymer-drug conjugate using multiscale modeling.

Lili X. Peng, J. Mccammon, David A. Gough, 2010, Biopolymers.

CFTR: A molecular model defines the architecture of the anion conduction path and locates a “bottleneck” in the pore

M. Sansom, A. Ivetac, Y. Norimatsu, 2012 .

Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein–Protein Interaction

J. Christensen, J. Lawson, Jacob R. Haling, 2022, Journal of medicinal chemistry.

Discovery of Novel Inhibitors of HIV‐1 Reverse Transcriptase Through Virtual Screening of Experimental and Theoretical Ensembles

J Andrew McCammon, Stephen H Hughes, Anthony Ivetac, 2014, Chemical biology & drug design.

Locating a Plausible Binding Site for an Open-Channel Blocker, GlyH-101, in the Pore of the Cystic Fibrosis Transmembrane Conductance Regulator

L. Frye, M. Sansom, A. Ivetac, 2012, Molecular Pharmacology.

1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction.

A. Ayscough, A. Ivetac, A. Hendrick, 2017, Journal of Medicinal Chemistry.

Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP-Deleted Cancers.

J. Christensen, J. Lawson, P. Olson, 2022, Journal of medicinal chemistry.

A combinatorial TIR1/AFB-Aux/IAA co-receptor system for differential sensing of auxin

C. D. de Oliveira, M. Estelle, S. Kepinski, 2012, Nature chemical biology.

Elucidating the inhibition mechanism of HIV-1 non-nucleoside reverse transcriptase inhibitors through multicopy molecular dynamics simulations.

J Andrew McCammon, Anthony Ivetac, J. Mccammon, 2009, Journal of molecular biology.

Cystic fibrosis transmembrane conductance regulator: a molecular model defines the architecture of the anion conduction path and locates a "bottleneck" in the pore.

Anthony Ivetac, M. Sansom, A. Ivetac, 2012, Biochemistry.

Simulations of Biased Agonists in the β2 Adrenergic Receptor with Accelerated Molecular Dynamics

J. Andrew McCammon, Jeff Wereszczynski, Balaji Selvam, 2013, Biochemistry.

High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875

Anthony Ivetac, Ankita Srivastava, Andy Jennings, 2014, Nature.

Predictive Power of Molecular Dynamics Receptor Structures in Virtual Screening

James Andrew McCammon, Riccardo Baron, Sara E. Nichols, 2011, J. Chem. Inf. Model..

A molecular dynamics ensemble-based approach for the mapping of druggable binding sites.

J Andrew McCammon, Anthony Ivetac, J. Mccammon, 2012, Methods in molecular biology.

Fragment optimization and elaboration strategies – the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits

J. Christensen, J. Lawson, Misbha Ud Din Ahmad, 2022, RSC medicinal chemistry.

Design and evaluation of achiral, non-atropisomeric 4-(aminomethyl)phthalazin-1(2H)-one derivatives as novel PRMT5/MTA inhibitors.

J. Christensen, P. Olson, A. Ivetac, 2022, Bioorganic & medicinal chemistry.

Cystic Fibrosis Transmembrane Conductance Regulator: Using Differential Reactivity toward Channel-Permeant and Channel-Impermeant Thiol-Reactive Probes To Test a Molecular Model for the Pore†

Mark Sansom, Xuehong Liu, Anthony Ivetac, 2009, Biochemistry.

Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.

A. Ivetac, E. Bradshaw-Pierce, Petro Halkowycz, 2017, ACS medicinal chemistry letters.

Dynamics and function in a bacterial ABC transporter: simulation studies of the BtuCDF system and its components.

Anthony Ivetac, M. Sansom, A. Ivetac, 2007, Biochemistry.

Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3 character and an exquisite selectivity profile.

Christopher Mcbride, A. Ivetac, Petro Halkowycz, 2020, Bioorganic & medicinal chemistry letters.

Molecular dynamics simulations and membrane protein structure quality

Mark S. P. Sansom, Anthony Ivetac, M. Sansom, 2008, European Biophysics Journal.