Ana Damjanovic

Ana Damjanovic

Associate Research Scientist

016 Jenkins Hall
410-516-5390
ad@jhu.edu
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Biography
Research
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Ana Damjanovic is an associate research scientist in the Department of Biophysics.

Charge, energy and information transfer in biological systems. I am particularly interested in neuroscience and photosynthesis. I use a variety of computational and theoretical tools, and am also involved in developments of new computational methods (e.g., molecular dynamics simulations at constant pH).

Introduction to Scientific Computing

Displaying the 20 most recent publications. View the Google Scholar Profile for complete publications list.

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J Lee, F Tofoleanu, FC Pickard, G König, J Huang, A Damjanović, M Baek, ...
Absolute binding free energy calculations of CBClip host–guest systems in the SAMPL5 blind challenge
Journal of Computer-Aided Molecular Design, 1-15, 2016

J Lee, BT Miller, A Damjanović, BR Brooks
Enhancing constant-pH simulation in explicit solvent with a two-dimensional replica exchange method
Journal of chemical theory and computation 11 (6), 2560-2574, 2015

M Lowe, D Gullotti, A Damjanovic, A Cheng, S Dirla, R Schleif
Computational and experimental investigation of constitutive behavior in AraC
Proteins: Structure, Function, and Bioinformatics 82 (12), 3385-3396, 2014

J Lee, BT Miller, A Damjanović, BR Brooks
Constant pH molecular dynamics in explicit solvent with enveloping distribution sampling and Hamiltonian exchange
Journal of chemical theory and computation 10 (7), 2738-2750, 2014

A Damjanovic, BT Miller, R Schleif
Understanding the basis of a class of paradoxical mutations in AraC through simulations
Proteins: Structure, Function, and Bioinformatics 81 (3), 490-498, 2013

X Wu, A Damjanovic, BR Brooks
Efficient and unbiased sampling of biomolecular systems in the canonical ensemble: A review of self-guided Langevin dynamics
Advances in chemical physics 150, 255, 2012

SG Itoh, A Damjanović, BR Brooks
pH replica‐exchange method based on discrete protonation states
Proteins: Structure, Function, and Bioinformatics 79 (12), 3420-3436, 2011

A Damjanović, BR Brooks, B García-Moreno E
Conformational relaxation and water penetration coupled to ionization of internal groups in proteins
The Journal of Physical Chemistry A 115 (16), 4042-4053, 2011

A Damjanović, E García‐Moreno, BR Brooks
Self‐guided Langevin dynamics study of regulatory interactions in NtrC
Proteins: Structure, Function, and Bioinformatics 76 (4), 1007-1019, 2009

JH Roh, RM Briber, A Damjanovic, D Thirumalai, SA Woodson, ...
Dynamics of tRNA at different levels of hydration
Biophysical journal 96 (7), 2755-2762, 2009

A Damjanović, X Wu, BR Brooks
Backbone relaxation coupled to the ionization of internal groups in proteins: a self-guided Langevin dynamics study
Biophysical journal 95 (9), 4091-4101, 2008

A Damjanovic, BT Miller, TJ Wenaus, P Maksimovic, B García-Moreno E, ...
Open science grid study of the coupling between conformation and water content in the interior of a protein
Journal of chemical information and modeling 48 (10), 2021-2029, 2008

MJ Harms, JL Schlessman, MS Chimenti, GR Sue, A Damjanović, ...
A buried lysine that titrates with a normal pKa: Role of conformational flexibility at the protein–water interface as a determinant of pKavalues
Protein Science 17 (5), 833-845, 2008

A Damjanović, JL Schlessman, CA Fitch, AE García
Role of flexibility and polarity as determinants of the hydration of internal cavities and pockets in proteins
Biophysical journal 93 (8), 2791-2804, 2007

L Janosi, I Kosztin, A Damjanović
Theoretical prediction of spectral and optical properties of bacteriochlorophylls in thermally disordered LH2 antenna complexes
The Journal of chemical physics 125 (1), 014903, 2006

A Damjanović, B García‐Moreno, EE Lattman, AE García
Molecular dynamics study of water penetration in staphylococcal nuclease
Proteins: Structure, Function, and Bioinformatics 60 (3), 433-449, 2005

A Damjanović, EE Lattman, AE García
Molecular dynamics study of hydration of the protein interior
Computer Physics Communications 169 (1), 126-129, 2005

MK Şener, S Park, D Lu, A Damjanović, T Ritz, P Fromme, K Schulten
Excitation migration in trimeric cyanobacterial photosystem I
The Journal of chemical physics 120 (23), 11183-11195, 2004

V HM, M Yang, A Damjanović, GR Fleming
The mechanism of energy transfer and trapping in Photosystem I
Femtochemistry and Femtobiology: Ultrafast Events in Molecular Science, 401, 2004

HM Vaswani, M Yang, A Damjanovic, GR Fleming
The mechanism of energy transfer and trapping in Photosystem I
Ultrafast Molecular EVents in Chemistry and Biology 6, 401, 2004