Articles with public access mandates - Prof. J. Andrew McCammonLearn more
Not available anywhere: 21
Inhibition of cathepsin B by Au (I) complexes: a kinetic and computational study
SS Gunatilleke, CAF De Oliveira, JA McCammon, AM Barrios
JBIC Journal of Biological Inorganic Chemistry 13, 555-561, 2008
Mandates: US National Institutes of Health
Porous protein frameworks with unsaturated metal centers in sterically encumbered coordination sites
RJ Radford, M Lawrenz, PC Nguyen, JA McCammon, FA Tezcan
Chemical Communications 47 (1), 313-315, 2011
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
Springs and speeds in free energy reconstruction from irreversible single-molecule pulling experiments
DDL Minh, JA McCammon
The Journal of Physical Chemistry B 112 (19), 5892-5897, 2008
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
The oxygen-binding vs. oxygen-consuming paradigm in biocatalysis: structural biology and biomolecular simulation
R Baron, JA McCammon, A Mattevi
Current opinion in structural biology 19 (6), 672-679, 2009
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
A molecular dynamics ensemble-based approach for the mapping of druggable binding sites
A Ivetac, JA McCammon
Computational drug discovery and design, 3-12, 2012
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
Accelerated molecular dynamics in computational drug design
J Wereszczynski, JA McCammon
Computational Drug Discovery and Design, 515-524, 2012
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
On the use of molecular dynamics receptor conformations for virtual screening
SE Nichols, R Baron, JA McCammon
Computational drug discovery and design, 93-103, 2012
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
A minimal model for stabilization of biomolecules by hydrocarbon cross-linking
K Hamacher, A Hübsch, JA McCammon
The Journal of chemical physics 124 (16), 2006
Mandates: German Research Foundation
Catalytically requisite conformational dynamics in the mRNA-capping enzyme probed by targeted molecular dynamics
RV Swift, JA McCammon
Biochemistry 47 (13), 4102-4111, 2008
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
Independent-trajectory thermodynamic integration: a practical guide to protein-drug binding free energy calculations using distributed computing
M Lawrenz, R Baron, Y Wang, JA McCammon
Computational Drug Discovery and Design, 469-486, 2012
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
Hydrophobic Association and Volume‐Confined Water Molecules
R Baron, P Setny, JA McCammon
Protein‐Ligand Interactions, 145-170, 2012
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
Copper-catalyzed aerobic oxidation and oxygenation of anilines and acetaldehydes with dioxygen for the concise synthesis of 2-aroylquinolines
Z Li, X Wang, L Ma, N Jiao
Synlett 28 (13), 1581-1585, 2017
Mandates: National Natural Science Foundation of China
Accelerated molecular dynamics: Theory, implementation and applications
Y Wang, JA McCammon
AIP Conference Proceedings 1456 (1), 165-172, 2012
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
Intrinsic conformational flexibility of acetylcholinesterase
JM Bui, JA McCammon
Chemico-biological interactions 175 (1-3), 303-304, 2008
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
18F‐RB390: Innovative ligand for imaging the T877A androgen receptor mutant in prostate cancer via positron emission tomography (PET)
R Bertolini, C Goepfert, T Andrieu, S Nichols, MA Walter, FJ Frey, ...
The Prostate 75 (4), 348-359, 2015
Mandates: Swiss National Science Foundation
Drug design
CF Wong, A McCammon
Encyclopedia of Supramolecular Chemistry-Two-Volume Set (Print), vol1: 490 …, 2013
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
Comment on ‘Molecular driving forces of the pocket-ligand hydrophobic association’by G. Graziano, Chem. Phys. Lett. 533 (2012) 95
P Setny, R Baron, JA McCammon
Chemical Physics Letters 555, 306-309, 2013
Mandates: US National Institutes of Health, Howard Hughes Medical Institute, German …
ACCELERATED MOLECULAR DYNAMICS: AN EFFICIENT ENHANCED SAMPLING METHOD FOR BIOMOLECULAR SIMULATIONS
LCT PIERCE, W SINKO, JA McCAMMON
Biomolecular Forms and Functions: A Celebration of 50 Years of the …, 2013
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
Lipid Bilayers
Y Wang, JA McCammon
Molecular Modeling at the Atomic Scale, 191, 2014
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
Protein Kinases: Phosphorylation Machines
EE Thompson, SS Taylor, JA McCammon
Molecular Machines, 115-130, 2011
Mandates: US National Institutes of Health, Howard Hughes Medical Institute
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