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Scopus Author ID: 7102069690

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Employment (4)

University of Heidelberg: Heidelberg, DE

Postdoctoral Scholar (Computational Molecular Biophysics, IWR)
Employment
Source: Self-asserted source
Marimuthu Krishnan

Oak Ridge National Laboratory: Oak Ridge, Tennessee, US

Postdoctoral Scholar (Center for Molecular Biophysics)
Employment
Source: Self-asserted source
Marimuthu Krishnan

Michigan State University: East Lansing, MI, US

Visiting Faculty, Adjunct Professor (Department of Chemistry)
Employment
Source: Self-asserted source
Marimuthu Krishnan

International Institute of Information Technology, Hyderabad: Hyderabad, Telangana, IN

(Center for Computational Natural Sciences and Bioinformatics)
Employment
Source: Self-asserted source
Marimuthu Krishnan

Education and qualifications (1)

Jawaharlal Nehru Centre for Advanced Scientific Research: Bangalore, Karnataka, IN

1999-08-01 to 2005-06-15 | Ph.D. (Chemistry and Physics of Materials Unit, Physical Sciences)
Education
Source: Self-asserted source
Marimuthu Krishnan

Works (37)

ASH1L guards cis-regulatory elements against cyclobutane pyrimidine dimer induction

Nucleic Acids Research
2024-08-12 | Journal article
DOI: 10.1093/nar/gkae517
Contributors: Michelle N Yancoskie; Reihaneh Khaleghi; Anirvinya Gururajan; Aadarsh Raghunathan; Aryan Gupta; Sarah Diethelm; Corina Maritz; Shana J Sturla; Marimuthu Krishnan; Hanspeter Naegeli
Source: check_circle
Crossref

Mapping the recognition pathway of cyclobutane pyrimidine dimer in DNA by Rad4/XPC

Nucleic Acids Research
2023-10-27 | Journal article
DOI: 10.1093/nar/gkad730
Contributors: Nikhil Jakhar; Akshay Prabhakant; Marimuthu Krishnan
Source: check_circle
Crossref

Molecular Dynamics and Machine Learning Study of Adrenaline Dynamics in the Binding Pocket of GPCR

Journal of Chemical Information and Modeling
2023-07-24 | Journal article
DOI: 10.1021/acs.jcim.3c00401
Contributors: Keshavan Seshadri; Marimuthu Krishnan
Source: check_circle
Crossref

CelS-Catalyzed Processive Cellulose Degradation and Cellobiose Extraction for the Production of Bioethanol

Journal of Chemical Information and Modeling
2022 | Journal article
DOI: 10.1021/acs.jcim.2c00239
EID:

2-s2.0-85131969493

Part of ISSN: 1549960X 15499596
Contributors: Penneru, S.K.; Saharay, M.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier
grade
Preferred source (of 2)‎

Enhanced sampling using replica exchange with nonequilibrium switches: A case study on simple models

Journal of Chemical Physics
2022 | Journal article
DOI: 10.1063/5.0110826
EID:

2-s2.0-85141998585

Part of ISSN: 10897690 00219606
Contributors: Badani, S.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier
grade
Preferred source (of 2)‎

Response of Terahertz Protein Vibrations to Ligand Binding: Calmodulin-Peptide Complexes as a Case Study

Journal of Chemical Information and Modeling
2022 | Journal article
DOI: 10.1021/acs.jcim.1c01344
EID:

2-s2.0-85127804583

Part of ISSN: 1549960X 15499596
Contributors: Varvdekar, B.; Prabhakant, A.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier
grade
Preferred source (of 2)‎

Correlated Response of Protein Side-Chain Fluctuations and Conformational Entropy to Ligand Binding

Journal of Physical Chemistry B
2021 | Journal article
DOI: 10.1021/acs.jpcb.1c01227
EID:

2-s2.0-85114411551

Part of ISSN: 15205207 15206106
Contributors: Rajitha Rajeshwar, T.; Saharay, M.; Smith, J.C.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier
grade
Preferred source (of 2)‎

Allosteric Response of DNA Recognition Helices of Catabolite Activator Protein to cAMP and DNA Binding

Journal of Chemical Information and Modeling
2020 | Journal article
DOI: 10.1021/acs.jcim.0c00617
EID:

2-s2.0-85095837819

Part of ISSN: 1549960X 15499596
Contributors: Prabhakant, A.; Panigrahi, A.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier
grade
Preferred source (of 2)‎

Sequence specificity, energetics and mechanism of mismatch recognition by DNA damage sensing protein Rad4/XPC

Nucleic Acids Research
2020 | Journal article
DOI: 10.1093/nar/gkaa078
EID:

2-s2.0-85081072738

Part of ISSN: 13624962 03051048
Contributors: Panigrahi, A.; Vemuri, H.; Aggarwal, M.; Pitta, K.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Role of Cations in Adsorption of Supercritical Carbon Dioxide at Smectite Mineral-Water Interfaces: Molecular Dynamics and Adaptive Biasing Force Simulation Studies

Journal of Physical Chemistry C
2019 | Journal article
DOI: 10.1021/acs.jpcc.8b08594
EID:

2-s2.0-85060170133

Part of ISSN: 19327455 19327447
Contributors: Maruthi Sena, M.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier
grade
Preferred source (of 2)‎

Molecular dynamics simulation of polymer-coupled ion transport in the crystalline polymer electrolyte poly(ethylene oxide)<sub>3</sub>:NaI

Polymer
2018 | Journal article
DOI: 10.1016/j.polymer.2018.09.024
EID:

2-s2.0-85053928446

Part of ISSN: 00323861
Contributors: Cheerla, R.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Molecular mechanism of melting of a helical polymer crystal: Role of conformational order, packing and mobility of polymers

Chemical Physics
2018 | Journal article
DOI: 10.1016/j.chemphys.2018.01.005
EID:

2-s2.0-85040667036

Part of ISSN: 03010104
Contributors: Cheerla, R.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Molecular Mechanism, Dynamics, and Energetics of Protein-Mediated Dinucleotide Flipping in a Mismatched DNA: A Computational Study of the RAD4-DNA Complex

Journal of Chemical Information and Modeling
2018 | Journal article
DOI: 10.1021/acs.jcim.7b00636
EID:

2-s2.0-85044412094

Part of ISSN: 1549960X 15499596
Contributors: Pitta, K.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier
grade
Preferred source (of 2)‎

Direct Determination of Site-Specific Noncovalent Interaction Strengths of Proteins from NMR-Derived Fast Side Chain Motional Parameters

Journal of Physical Chemistry B
2017 | Journal article
DOI: 10.1021/acs.jpcb.7b01402
EID:

2-s2.0-85020728092

Part of ISSN: 15205207 15206106
Contributors: Rajeshwar, R.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier
grade
Preferred source (of 2)‎

Molecular Origins of Polymer-Coupled Helical Motion of Ions in a Crystalline Polymer Electrolyte

Macromolecules
2016 | Journal article
DOI: 10.1021/acs.macromol.5b02197
EID:

2-s2.0-84955564111

Part of ISSN: 15205835 00249297
Contributors: Cheerla, R.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Review. NMR and computational molecular modeling studies of mineral surfaces and interlayer galleries: A review

American Mineralogist
2015 | Journal article
DOI: 10.2138/am-2015-5141
EID:

2-s2.0-84937797986

Part of ISSN: 19453027 0003004X
Contributors: Kirkpatrick, R.J.; Kalinichev, A.G.; Bowers, G.M.; Yazaydin, A.O.; Krishnan, M.; Saharay, M.; Morrow, C.P.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Supercritical Carbon Dioxide at Smectite Mineral-Water Interfaces: Molecular Dynamics and Adaptive Biasing Force Investigation of CO<sub>2</sub>/H<sub>2</sub>O Mixtures Nanoconfined in Na-Montmorillonite

Chemistry of Materials
2015 | Journal article
DOI: 10.1021/acs.chemmater.5b01855
EID:

2-s2.0-84945586995

Part of ISSN: 15205002 08974756
Contributors: Sena, M.M.; Morrow, C.P.; Kirkpatrick, R.J.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Hidden regularity and universal classification of fast side chain motions in proteins

Journal of the American Chemical Society
2014 | Journal article
DOI: 10.1021/ja5024783
EID:

2-s2.0-84902665563

Part of ISSN: 15205126 00027863
Contributors: Rajitha Rajeshwar, T.; Smith, J.C.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Molecular dynamics modeling of CO<sub>2</sub> and poly(ethylene glycol) in montmorillonite: The structure of clay-polymer composites and the incorporation of CO<sub>2</sub>

Journal of Physical Chemistry C
2013 | Journal article
DOI: 10.1021/jp405321t
EID:

2-s2.0-84885593587

Part of ISSN: 19327447 19327455
Contributors: Krishnan, M.; Saharay, M.; Kirkpatrick, R.J.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Structure, energetics, and dynamics of smectite clay interlayer hydration: Molecular dynamics and metadynamics investigation of Na-hectorite

Journal of Physical Chemistry C
2013 | Journal article
DOI: 10.1021/jp312286g
EID:

2-s2.0-84875195860

Part of ISSN: 19327447 19327455
Contributors: Morrow, C.P.; Yazaydin, A.O.; Krishnan, M.; Bowers, G.M.; Kalinichev, A.G.; Kirkpatrick, R.J.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Three entropic classes of side chain in a globular protein

Journal of Physical Chemistry B
2013 | Journal article
DOI: 10.1021/jp400564q
EID:

2-s2.0-84875455230

Part of ISSN: 15205207 15206106
Contributors: Glass, D.C.; Krishnan, M.; Smith, J.C.; Baudry, J.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Reconstruction of protein side-chain conformational free energy surfaces from NMR-derived methyl axis order parameters

Journal of Physical Chemistry B
2012 | Journal article
DOI: 10.1021/jp2104853
EID:

2-s2.0-84859743403

Part of ISSN: 15205207 15206106
Contributors: Krishnan, M.; Smith, J.C.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Integration of neutron scattering with computer simulation to study the structure and dynamics of biological systems

Dynamics of Biological Macromolecules by Neutron Scattering
2011 | Book chapter
Part of DOI: 10.2174/978160805219611101010099
EID:

2-s2.0-84884027009
Contributors: Smith, J.C.; Krishnan, M.; Petridis, L.; Smolin, N.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Temperature dependence of protein dynamics simulated with three different water models

Journal of Chemical Theory and Computation
2010 | Journal article
DOI: 10.1021/ct9006508
EID:

2-s2.0-77951131045

Part of ISSN: 15499618 15499626
Contributors: Glass, D.C.; Krishnan, M.; Nutt, D.R.; Smith, J.C.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Instantaneous normal modes and the protein glass transition

Biophysical Journal
2009 | Journal article
DOI: 10.1016/j.bpj.2008.10.007
EID:

2-s2.0-58849165354

Part of ISSN: 15420086 00063495
Contributors: Schulz, R.; Krishnan, M.; Daidone, I.; Smith, J.C.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Protein dynamical transition : Role of methyl dynamics and local diffusion

AIP Conference Proceedings
2009 | Conference paper
DOI: 10.1063/1.3108363
EID:

2-s2.0-65149087390

Part of ISSN: 0094243X 15517616
Contributors: Krishnan, M.; Schulz, R.; Mith, J.C.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Response of small-scale, methyl rotors to protein-ligand association: A simulation analysis of calmodulin-peptide binding

Journal of the American Chemical Society
2009 | Journal article
DOI: 10.1021/ja901276n
EID:

2-s2.0-67651202061

Part of ISSN: 00027863
Contributors: Krishnan, M.; Smith, J.C.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Methyl group dynamics and the onset of anharmonicity in myoglobin

Journal of Physical Chemistry B
2008 | Journal article
DOI: 10.1021/jp076641z
EID:

2-s2.0-47149091098

Part of ISSN: 15206106
Contributors: Krishnan, M.; Kurkal-Siebert, V.; Smith, J.C.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

n-Heptane under pressure: Structure and dynamics from molecular simulations

Journal of Physical Chemistry B
2005 | Journal article
DOI: 10.1021/jp046889d
EID:

2-s2.0-13444301519

Part of ISSN: 15206106
Contributors: Krishnan, M.; Balasubramanian, S.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

n-Heptane under pressure: Structure and dynamics from molecular simulations

ACS National Meeting Book of Abstracts
2005 | Conference paper
EID:

2-s2.0-22744432676

Part of ISSN: 00657727
Contributors: Sundaram, B.; Krishnan, M.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Phase behaviour of ultrathin crystalline n-heptane films on graphite: An atomistic simulation study

Physical Chemistry Chemical Physics
2005 | Journal article
DOI: 10.1039/b418077a
EID:

2-s2.0-18844393370

Part of ISSN: 14639076
Contributors: Krishnan, M.; Balasubramanian, S.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Erratum: Order-disorder transitions and melting in a helical polymer crystal: Molecular dynamics calculations of model poly(ethylene oxide) (Chemical Physics Letters (2004) 385 (351-356) PII: S0009261404000144 DOI: 10.1016/j.cplett.2003.12.116)

Chemical Physics Letters
2004 | Journal article
DOI: 10.1016/j.cplett.2004.04.072
EID:

2-s2.0-2542430289

Part of ISSN: 00092614
Contributors: Krishnan, M.; Balasubramanian, S.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Order-disorder transitions and melting in a helical polymer crystal: Molecular dynamics calculations of model poly(ethylene oxide)

Chemical Physics Letters
2004 | Journal article
DOI: 10.1016/j.cplett.2003.12.116
EID:

2-s2.0-1242338853

Part of ISSN: 00092614
Contributors: Krishnan, M.; Balasubramanian, S.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

An atomistic simulation study of a solid monolayer and trilayer of n-hexane on graphite

Journal of Chemical Physics
2003 | Journal article
DOI: 10.1063/1.1546265
EID:

2-s2.0-0037444718

Part of ISSN: 00219606
Contributors: Krishnan, M.; Balasubramanian, S.; Clarke, S.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Structure of solid monolayers and multilayers of n-hexane on graphite

Proceedings of the Indian Academy of Sciences: Chemical Sciences
2003 | Journal article
DOI: 10.1007/bf02708256
EID:

2-s2.0-0347579367

Part of ISSN: 02534134
Contributors: Krishnan, M.; Balasubramanian, S.; Clarke, S.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Vibrational dynamics of solid poly(ethylene oxide)

Physical Review B - Condensed Matter and Materials Physics
2003 | Journal article
DOI: 10.1103/PhysRevB.68.064304
EID:

2-s2.0-4444311467

Part of ISSN: 1550235X 10980121
Contributors: Krishnan, M.; Balasubramanian, S.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Computer simulation study of water using a fluctuating charge model

Proceedings of the Indian Academy of Sciences: Chemical Sciences
2001 | Journal article
DOI: 10.1007/BF02708791
EID:

2-s2.0-0035485256

Part of ISSN: 02534134
Contributors: Krishnan, M.; Verma, A.; Balasubramanian, S.
Source: Self-asserted source
Marimuthu Krishnan via Scopus - Elsevier

Peer review (17 reviews for 9 publications/grants)

Review activity for ACS applied materials & interfaces. (2)
Review activity for ACS chemical neuroscience. (1)
Review activity for ACS earth and space chemistry. (1)
Review activity for ACS sustainable chemistry & engineering. (1)
Review activity for Journal of chemical information and modeling. (4)
Review activity for Journal of organic chemistry. (1)
Review activity for Journal of physical chemistry. (2)
Review activity for The journal of physical chemistry letters. (1)
Review activity for The journal of physical chemistry. (4)
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