J. McCammon

发表

Indole‐3‐carbinol inhibits MDA‐MB‐231 breast cancer cell motility and induces stress fibers and focal adhesion formation by activation of Rho kinase activity

G. Firestone, I. Aronchik, C. Brew, 2009, International journal of cancer.

Capturing Differences in the Regulation of LRRK2 Dynamics and Conformational States by Small Molecule Kinase Inhibitors

Susan S. Taylor, Jian Wu, S. Silletti, 2022, bioRxiv.

Stomatal CO2/bicarbonate sensor consists of two interacting protein kinases, Raf-like HT1 and non-kinase-activity requiring MPK12/MPK4

J. Schroeder, J. Kangasjärvi, Yohei Takahashi, 2022, Science advances.

18F‐RB390: Innovative ligand for imaging the T877A androgen receptor mutant in prostate cancer via positron emission tomography (PET)

Sara E. Nichols, F. Frey, M. Walter, 2015, The Prostate.

Towards an in vivo biologically inspired nanofactory.

Minami Yoda, Vincent M Rotello, Woo Y. Lee, 2007, Nature nanotechnology.

Evaluation and Binding‐Mode Prediction of Thiopyrone‐Based Inhibitors of Anthrax Lethal Factor

Seth M. Cohen, J. Mongan, Jana A. Lewis, 2006, ChemMedChem.

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.

Mapping of Allosteric Druggable Sites in Activation‐Associated Conformers of the M2 Muscarinic Receptor

Sara E. Nichols, J. Mccammon, Y. Miao, 2014, Chemical biology & drug design.

Dynamics of Plasmodium falciparum enoyl‐ACP reductase and implications on drug discovery

J Andrew McCammon, Steffen Lindert, S. Lindert, 2012, Protein science : a publication of the Protein Society.

pH‐dependent conformational dynamics of beta‐secretase 1: A molecular dynamics study

J. Mccammon, R. Walker, D. Mermelstein, 2018, Journal of molecular recognition : JMR.

Thalassiolins A-C: new marine-derived inhibitors of HIV cDNA integrase.

F. Bushman, J. Mccammon, C. Sotriffer, 2002, Bioorganic & medicinal chemistry.

A Computational Modeling Approach Predicts Interaction of the Antifungal Protein AFP from Aspergillus giganteus with Fungal Membranes via Its γ-Core Motif

P. Schmieder, J. Mccammon, E. Krause, 2018, mSphere.

Molecular mimicry and ligand recognition in binding and catalysis by the histone demethylase LSD1-CoREST complex.

J. Mccammon, R. Baron, M. Tortorici, 2011, Structure.

A dynamic model of HIV integrase inhibition and drug resistance.

Garrett M Morris, J Andrew McCammon, Stefano Forli, 2010, Journal of molecular biology.

Protospacer Adjacent Motif-Induced Allostery Activates CRISPR-Cas9

J Andrew McCammon, Giulia Palermo, Victor S Batista, 2017, Journal of the American Chemical Society.

Computer-Aided Identification of Trypanosoma brucei Uridine Diphosphate Galactose 4′-Epimerase Inhibitors: Toward the Development of Novel Therapies for African Sleeping Sickness

J. Andrew McCammon, Jacob D. Durrant, Michael A. J. Ferguson, 2010, Journal of medicinal chemistry.

J. Mccammon, E. Oldfield, J. McCammon, 2018, Chemical biology & drug design.

Multiscale computational modeling of the effects of 2'-deoxy-ATP on cardiac muscle calcium handling.

Rommie E. Amaro, Sophia P. Hirakis, A. McCulloch, 2023, Journal of applied physics.

Deciphering Off-Target Effects in CRISPR-Cas9 through Accelerated Molecular Dynamics

J. Andrew McCammon, Jennifer A. Doudna, Giulia Palermo, 2019, ACS central science.

Striking Plasticity of CRISPR-Cas9 and Key Role of Non-target DNA, as Revealed by Molecular Simulations

J. Andrew McCammon, Giulia Palermo, Ross C. Walker, 2016, ACS central science.

The Molecular Dynamics of Trypanosoma brucei UDP-Galactose 4′-Epimerase: A Drug Target for African Sleeping Sickness

Levi C. T. Pierce, Jacob D. Durrant, J. Mccammon, 2012, Chemical biology & drug design.

Allosteric effects of sodium ion binding on activation of the m3 muscarinic g-protein-coupled receptor.

J Andrew McCammon, Yinglong Miao, J. Mccammon, 2015, Biophysical journal.

Ensemble-Based Virtual Screening Reveals Potential Novel Antiviral Compounds for Avian Influenza Neuraminidase

Rommie E. Amaro, Wilfred W. Li, Dong Xu, 2008, Journal of medicinal chemistry.

Discovery of a novel binding trench in HIV integrase.

J Andrew McCammon, Christoph A Sotriffer, Haihong Ni, 2004, Journal of medicinal chemistry.

Accelerated structure-based design of chemically diverse allosteric modulators of a muscarinic G protein-coupled receptor

J. Andrew McCammon, Arthur Christopoulos, Patrick M. Sexton, 2016, Proceedings of the National Academy of Sciences.

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.

Troponin I Mutations R146G and R21C Alter Cardiac Troponin Function, Contractile Properties, and Modulation by Protein Kinase A (PKA)-mediated Phosphorylation*

A. McCulloch, J. Mccammon, S. Lindert, 2015, The Journal of Biological Chemistry.

On the use of molecular dynamics receptor conformations for virtual screening.

Sara E. Nichols, R. Baron, J. McCammon, 2012, Methods in molecular biology.

Activation mechanisms of the first sphingosine‐1‐phosphate receptor

Y. Miao, Alisha D Caliman, J. McCammon, 2017, Protein science : a publication of the Protein Society.

Remarkable loop flexibility in avian influenza N1 and its implications for antiviral drug design.

Jung-Hsin Lin, David D L Minh, Rommie E. Amaro, 2007, Journal of the American Chemical Society.

Mechanism of the G-protein mimetic nanobody binding to a muscarinic G-protein-coupled receptor

J. Mccammon, Y. Miao, J. McCammon, 2018, Proceedings of the National Academy of Sciences.

Graded activation and free energy landscapes of a muscarinic G-protein–coupled receptor

J. Andrew McCammon, Yinglong Miao, J. Mccammon, 2016, Proceedings of the National Academy of Sciences.

G-protein coupled receptors: advances in simulation and drug discovery.

J. Mccammon, Y. Miao, J. McCammon, 2016, Current opinion in structural biology.

Development of Potent and Selective Inhibitors for Group VIA Calcium-Independent Phospholipase A2 Guided by Molecular Dynamics and Structure-Activity Relationships.

Varnavas D. Mouchlis, J. Mccammon, E. Dennis, 2016, Journal of medicinal chemistry.

Impact of calcium on N1 influenza neuraminidase dynamics and binding free energy

Rommie E. Amaro, J Andrew McCammon, Morgan Lawrenz, 2010, Proteins.

CRISPR-Cas9 conformational activation as elucidated from enhanced molecular simulations

J Andrew McCammon, Giulia Palermo, Yinglong Miao, 2017, Proceedings of the National Academy of Sciences.

Adaptive Accelerated Molecular Dynamics (Ad-AMD) Revealing the Molecular Plasticity of P450cam

Levi C. T. Pierce, J. Andrew McCammon, Phineus R. L. Markwick, 2011, The journal of physical chemistry letters.

Structure-based drug design: computational advances.

J. Briggs, J. Mccammon, T. Marrone, 1997, Annual review of pharmacology and toxicology.

Accelerating chemical reactions: exploring reactive free-energy surfaces using accelerated ab initio molecular dynamics.

P. Markwick, N. Doltsinis, J. McCammon, 2011, The Journal of chemical physics.

Electrostatic channeling in the bifunctional enzyme dihydrofolate reductase-thymidylate synthase.

D. Knighton, A. Elcock, J. Mccammon, 1996, Journal of molecular biology.

Distinct glycan topology for avian and human sialopentasaccharide receptor analogues upon binding different hemagglutinins: a molecular dynamics perspective.

Dong Xu, Rommie E. Amaro, J Andrew McCammon, 2009, Journal of molecular biology.

Identification of triazinoindol-benzimidazolones as nanomolar inhibitors of the Mycobacterium tuberculosis enzyme TDP-6-deoxy-d-xylo-4-hexopyranosid-4-ulose 3,5-epimerase (RmlC).

S. Diamond, J. Mccammon, A. Napper, 2010, Bioorganic & medicinal chemistry.