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Development of OPLS-AA Force Field Parameters for 68 Unique Ionic Liquids

Journal of chemical theory and computation, 2009-04, Vol.5 (4), p.1038-1050

2009

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Neural Network based wind energy model developed over Anantapur, Andhra Pradesh, India

Journal of physics. Conference series, 2023-04, Vol.2471 (1), p.12029

2023

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Identification of HIV inhibitors guided by free energy perturbation calculations

Current pharmaceutical design, 2012, Vol.18 (9), p.1199-1216

2012

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An Ionic Liquid Dependent Mechanism for Base Catalyzed β‑Elimination Reactions from QM/MM Simulations

Journal of the American Chemical Society, 2013-01, Vol.135 (3), p.1065-1072

2013

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Homology modeling and molecular docking for the science curriculum

Biochemistry and molecular biology education, 2014-03, Vol.42 (2), p.179-182

2014

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Strain-Dependent Activation and Inhibition of Human Immunodeficiency Virus Entry by a Specific PF-68742 Stereoisomer

Journal of virology, 2019-11, Vol.93 (21)

2019

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A Combined Theoretical and Experimental Investigation of the Transport Properties of Water in a Perfluorosulfonic Acid Proton Exchange Membrane Doped with the Heteropoly Acids, H3PW12O40 or H4SiW12O40

Journal of physical chemistry. C, 2014-01, Vol.118 (2), p.854-863

2014

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Enhancing Proton Transport and Membrane Lifetimes in Perfluorosulfonic Acid Proton Exchange Membranes: A Combined Computational and Experimental Evaluation of the Structure and Morphology Changes Due to H3PW12O40 Doping

Journal of physical chemistry. C, 2014-09, Vol.118 (35), p.20193-20202

2014

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Quantitative structure–activity analysis of 5-arylidene-2,4-thiazolidinediones as aldose reductase inhibitors

Bioorganic & medicinal chemistry letters, 2006-02, Vol.16 (3), p.512-520

2006

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Computational Insight into Small Molecule Inhibition of Cyclophilins

Journal of chemical information and modeling, 2011-02, Vol.51 (2), p.475-482

2011

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Construction of Donor–Acceptor Polymers via Cyclopentannulation of Poly(arylene ethynylene)s

Macromolecules, 2016-01, Vol.49 (1), p.127-133

2016

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Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations

Journal of computational chemistry, 2011-10, Vol.32 (13), p.2836-2842

2011

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Identifying the Enzymatic Mode of Action for Cellulase Enzymes by Means of Docking Calculations and a Machine Learning Algorithm

AIMS molecular science, 2014, Vol.1 (1), p.59-80

2014

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Computational Evaluations of Charge Coupling and Hydrogen Bonding in the Active Site of a Family 7 Cellobiohydrolase

The journal of physical chemistry. B, 2014-01, Vol.118 (2), p.434-448

2014

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Selection and implementation of advanced manufacturing technologies: classification and literature review of issues

International journal of operations & production management, 1995-01, Vol.15 (10), p.43-62

1995

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QSAR analysis of thiazole benzenesulfonamide substituted 3-pyridylethanolamines as β3-adrenergic receptor agonist

Bioorganic & medicinal chemistry letters, 2005-06, Vol.15 (12), p.3167-3173

2005

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Identification of HIV Inhibitors Guided by Free Energy Perturbation Calculations

Current drug metabolism, 2012-03, Vol.18 (9), p.1199-1216

2012

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Multi-attribute decision model using the analytic hierarchy process for the justification of manufacturing systems

International journal of production economics, 1992-11, Vol.28 (2), p.227-234

1992

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Enhancing Proton Transport and Membrane Lifetimes in Perfluorosulfonic Acid Proton Exchange Membranes: A Combined Computational and Experimental Evaluation of the Structure and Morphology Changes Due to H 3 PW 12 O 40 Doping

Journal of physical chemistry. C, 2014-09, Vol.118 (35), p.20193-20202

2014

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A Combined Theoretical and Experimental Investigation of the Transport Properties of Water in a Perfluorosulfonic Acid Proton Exchange Membrane Doped with the Heteropoly Acids, H 3 PW 12 O 40 or H 4 SiW 12 O 40

Journal of physical chemistry. C, 2014-01, Vol.118 (2), p.854-863

2014

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Acetylcholine Promotes Binding of α-Conotoxin MII at α3β2 Nicotinic Acetylcholine Receptors

Chembiochem : a European journal of chemical biology, 2014-02, Vol.15 (3), p.413-424

2014

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Transceiver Antenna for Telemetry and TeleCommand Applications

2019 International Conference on Communication and Signal Processing (ICCSP), 2019, p.0511-0513

2019

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Cover Picture: Acetylcholine Promotes Binding of [alpha]-Conotoxin MII at [alpha]3[beta]2 Nicotinic Acetylcholine Receptors (ChemBioChem 3/2014)

Chembiochem : a European journal of chemical biology, 2014-02, Vol.15 (3), p.337

2014

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Cover Picture: Acetylcholine Promotes Binding of α-Conotoxin MII at α3β2 Nicotinic Acetylcholine Receptors (ChemBioChem 3/2014)

Chembiochem : a European journal of chemical biology, 2014-02, Vol.15 (3), p.337-337

2014

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Cover Picture: Acetylcholine Promotes Binding of α‐Conotoxin MII at α 3 β 2 Nicotinic Acetylcholine Receptors (ChemBioChem 3/2014)

Chembiochem : a European journal of chemical biology, 2014-02, Vol.15 (3), p.337-337

2014

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Development of OPLS-AA Force Field Parameters for 68 Unique Ionic Liquids

Neural Network based wind energy model developed over Anantapur, Andhra Pradesh, India

Identification of HIV inhibitors guided by free energy perturbation calculations

An Ionic Liquid Dependent Mechanism for Base Catalyzed β‑Elimination Reactions from QM/MM Simulations

Homology modeling and molecular docking for the science curriculum

Strain-Dependent Activation and Inhibition of Human Immunodeficiency Virus Entry by a Specific PF-68742 Stereoisomer

A Combined Theoretical and Experimental Investigation of the Transport Properties of Water in a Perfluorosulfonic Acid Proton Exchange Membrane Doped with the Heteropoly Acids, H3PW12O40 or H4SiW12O40

Enhancing Proton Transport and Membrane Lifetimes in Perfluorosulfonic Acid Proton Exchange Membranes: A Combined Computational and Experimental Evaluation of the Structure and Morphology Changes Due to H3PW12O40 Doping

Quantitative structure–activity analysis of 5-arylidene-2,4-thiazolidinediones as aldose reductase inhibitors

Computational Insight into Small Molecule Inhibition of Cyclophilins

Construction of Donor–Acceptor Polymers via Cyclopentannulation of Poly(arylene ethynylene)s

Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations

Identifying the Enzymatic Mode of Action for Cellulase Enzymes by Means of Docking Calculations and a Machine Learning Algorithm

Computational Evaluations of Charge Coupling and Hydrogen Bonding in the Active Site of a Family 7 Cellobiohydrolase

Selection and implementation of advanced manufacturing technologies: classification and literature review of issues

QSAR analysis of thiazole benzenesulfonamide substituted 3-pyridylethanolamines as β3-adrenergic receptor agonist

Identification of HIV Inhibitors Guided by Free Energy Perturbation Calculations

Multi-attribute decision model using the analytic hierarchy process for the justification of manufacturing systems

Enhancing Proton Transport and Membrane Lifetimes in Perfluorosulfonic Acid Proton Exchange Membranes: A Combined Computational and Experimental Evaluation of the Structure and Morphology Changes Due to H 3 PW 12 O 40 Doping

A Combined Theoretical and Experimental Investigation of the Transport Properties of Water in a Perfluorosulfonic Acid Proton Exchange Membrane Doped with the Heteropoly Acids, H 3 PW 12 O 40 or H 4 SiW 12 O 40

Acetylcholine Promotes Binding of α-Conotoxin MII at α3β2 Nicotinic Acetylcholine Receptors

Transceiver Antenna for Telemetry and TeleCommand Applications

Cover Picture: Acetylcholine Promotes Binding of [alpha]-Conotoxin MII at [alpha]3[beta]2 Nicotinic Acetylcholine Receptors (ChemBioChem 3/2014)

Cover Picture: Acetylcholine Promotes Binding of α-Conotoxin MII at α3β2 Nicotinic Acetylcholine Receptors (ChemBioChem 3/2014)

Cover Picture: Acetylcholine Promotes Binding of α‐Conotoxin MII at α 3 β 2 Nicotinic Acetylcholine Receptors (ChemBioChem 3/2014)

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