Molecular dynamics simulation analysis of conessine against multi drug resistant Serratia marcescens

Infection Genetics and Evolution ◽

10.1016/j.meegid.2018.11.001 ◽

2019 ◽

Vol 67 ◽

pp. 101-111

Author(s):

Kalyani Dhusia ◽

Kalpana Raja ◽

Pierre Paul Michel Thomas ◽

Pramod K. Yadav ◽

Pramod W. Ramteke

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Serratia Marcescens ◽

Simulation Analysis ◽

Dynamics Simulation ◽

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Faculty Opinions recommendation of Molecular dynamics simulation directed rational design of inhibitors targeting drug-resistant mutants of influenza A virus M2.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.13918956.15376056 ◽

2012 ◽

Author(s):

Chandra Verma

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Influenza A Virus ◽

Influenza A ◽

Rational Design ◽

Dynamics Simulation ◽

Drug Resistant ◽

Resistant Mutants

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Faculty Opinions recommendation of Molecular dynamics simulation analysis of membrane defects and pore propensity of hemifusion diaphragms.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.717988413.793473345 ◽

2013 ◽

Author(s):

Jan Hoh

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Analysis ◽

Dynamics Simulation ◽

Membrane Defects

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Correction: Comparative Molecular Dynamics Simulation of Hepatitis C Virus NS3/4A Protease (Genotypes 1b, 3a and 4a) Predicts Conformational Instability of the Catalytic Triad in Drug Resistant Strains

PLoS ONE ◽

10.1371/journal.pone.0116131 ◽

2014 ◽

Vol 9 (12) ◽

pp. e116131

Author(s):

Keyword(s):

Molecular Dynamics ◽

Hepatitis C Virus ◽

Hepatitis C ◽

Molecular Dynamics Simulation ◽

Catalytic Triad ◽

Dynamics Simulation ◽

Drug Resistant ◽

Resistant Strains ◽

Drug Resistant Strains

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Ricin A-chain structural determinant for binding substrate analogues: A molecular dynamics simulation analysis

Proteins Structure Function and Bioinformatics ◽

10.1002/(sici)1097-0134(199701)27:1<80::aid-prot9>3.0.co;2-r ◽

1997 ◽

Vol 27 (1) ◽

pp. 80-95 ◽

Author(s):

Mark A. Olson

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Analysis ◽

Dynamics Simulation ◽

Ricin A Chain ◽

Substrate Analogues ◽

A Chain ◽

Ricin A ◽

Structural Determinant ◽

Binding Substrate

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The interplay between the paracetamol polymorphism and its molecular structures dissolved in supercritical CO2 in contact with the solid phase: In situ vibration spectroscopy and molecular dynamics simulation analysis

European Journal of Pharmaceutical Sciences ◽

10.1016/j.ejps.2015.05.016 ◽

2015 ◽

Vol 77 ◽

pp. 48-59 ◽

Author(s):

Roman D. Oparin ◽

Myriam Moreau ◽

Isabelle De Walle ◽

Marco Paolantoni ◽

Abdenacer Idrissi ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Co2 ◽

Simulation Analysis ◽

Solid Phase ◽

Molecular Structures ◽

Dynamics Simulation ◽

Vibration Spectroscopy

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Correction: Comparative Molecular Dynamics Simulation of Hepatitis C Virus NS3/4A Protease (Genotypes 1b, 3a and 4b) Predicts Conformational Instability of the Catalytic Triad in Drug Resistant Strains

PLoS ONE ◽

10.1371/journal.pone.0111263 ◽

2014 ◽

Vol 9 (10) ◽

pp. e111263

Author(s):

Keyword(s):

Molecular Dynamics ◽

Hepatitis C Virus ◽

Hepatitis C ◽

Molecular Dynamics Simulation ◽

Catalytic Triad ◽

Dynamics Simulation ◽

Drug Resistant ◽

Resistant Strains ◽

Drug Resistant Strains

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What Contributions to Protein Side-chain Dynamics are Probed by NMR Experiments? A Molecular Dynamics Simulation Analysis

Journal of Molecular Biology ◽

10.1016/j.jmb.2005.03.001 ◽

2005 ◽

Vol 349 (1) ◽

pp. 185-203 ◽

Author(s):

Robert B. Best ◽

Jane Clarke ◽

Martin Karplus

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Analysis ◽

Dynamics Simulation ◽

Chain Dynamics ◽

Side Chain Dynamics

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The natural way forward: Molecular dynamics simulation analysis of phytochemicals from Indian medicinal plants as potential inhibitors of SARS‐CoV ‐2 targets

Phytotherapy Research ◽

10.1002/ptr.6868 ◽

2020 ◽

Vol 34 (12) ◽

pp. 3420-3433

Author(s):

Pratap Kumar Parida ◽

Dipak Paul ◽

Debamitra Chakravorty

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Medicinal Plants ◽

Simulation Analysis ◽

Dynamics Simulation ◽

Potential Inhibitors ◽

Indian Medicinal Plants ◽

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Changes in the level of poly(Phe) synthesis in Escherichia coli ribosomes containing mutants of L4 ribosomal protein from Thermus thermophilus can be explained by structural changes in the peptidyltransferase center: a molecular dynamics simulation analysis

European Biophysics Journal ◽

10.1007/s00249-006-0076-4 ◽

2006 ◽

Vol 35 (8) ◽

pp. 675-683

Author(s):

G. Papadopoulos ◽

S. Grudinin ◽

D. L. Kalpaxis ◽

T. Choli-Papadopoulou

Keyword(s):

Escherichia Coli ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ribosomal Protein ◽

Structural Changes ◽

Simulation Analysis ◽

Thermus Thermophilus ◽

Dynamics Simulation ◽

Peptidyltransferase Center

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Molecular dynamics simulation analysis of small-angle neutron scattering by a solution of stearic acid in benzene

Physics of the Solid State ◽

10.1134/s1063783414010132 ◽

2014 ◽

Vol 56 (1) ◽

pp. 81-85 ◽

Author(s):

R. A. Eremin ◽

Kh. T. Kholmurodov ◽

V. I. Petrenko ◽

L. Rosta ◽

M. V. Avdeev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Stearic Acid ◽

Neutron Scattering ◽

Small Angle ◽

Small Angle Neutron Scattering ◽

Simulation Analysis ◽

Dynamics Simulation

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