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The Quantum Mechanics of a Rolling Molecular “Nanocar”

Scientific reports, 2018-10, Vol.8 (1), p.14878-11, Article 14878

2018

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Electrostatics-Based Computational Design and Experimental Analysis of Buforin II Antimicrobial Peptide Variants with Increased DNA Affinities

ACS omega, 2023-09, Vol.8 (37), p.33701-33711

2023

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The effect of macromolecular crowding on the electrostatic component of barnase-barstar binding: a computational, implicit solvent-based study

PloS one, 2014-06, Vol.9 (6), p.e98618-e98618

2014

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Macromolecular crowding effects on electrostatic binding affinity: Fundamental insights from theoretical, idealized models

The Journal of chemical physics, 2021-06, Vol.154 (22), p.225101-225101

2021

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"I am here because I wanted to shine": how poetry can be used to better understand undergraduate students' first-year chemistry or related course experiences

Chemistry Education Research and Practice, 2023-07, Vol.24 (3), p.868-881

2023

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How to Model for a Living: The CSGF as a Catalyst for Supermodels

Computing in science & engineering, 2021-11, Vol.23 (6), p.34-41

Radhakrishnan, Mala L.

2021

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A multifaceted analysis of HIV-1 protease multidrug resistance phenotypes

BMC bioinformatics, 2011-12, Vol.12 (1), p.477-477, Article 477

2011

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Computationally Modeling Electrostatic Binding Energetics in a Crowded, Dynamic Environment: Physical Insights from a Peptide–DNA System

The journal of physical chemistry. B, 2019-12, Vol.123 (50), p.10718-10734

2019

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EMMAs: Implementation and Assessment of a Suite of Cross-Disciplinary, Case-Based High School Activities to Explore Three-Dimensional Molecular Structure, Noncovalent Interactions, and Molecular Dynamics

Journal of chemical education, 2024-06, Vol.101 (6), p.2436-2447

2024

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Investigating the nucleic acid interactions of histone‐derived antimicrobial peptides

FEBS letters, 2017-03, Vol.591 (5), p.706-717

2017

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A dual receptor crosstalk model of G-protein-coupled signal transduction

PLoS computational biology, 2008-09, Vol.4 (9), p.e1000185-e1000185

2008

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Symmetric Signaling by an Asymmetric 1 Erythropoietin: 2 Erythropoietin Receptor Complex

Molecular cell, 2009-01, Vol.33 (2), p.266-274

2009

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Molecular mechanisms and design principles for promiscuous inhibitors to avoid drug resistance: Lessons learned from HIV-1 protease inhibition

Proteins, structure, function, and bioinformatics, 2015-02, Vol.83 (2), p.351-372

2015

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Optimal Drug Cocktail Design: Methods for Targeting Molecular Ensembles and Insights from Theoretical Model Systems

Journal of Chemical Information and Modeling, 2008-05, Vol.48 (5), p.1055-1073

2008

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Specificity in Molecular Design: A Physical Framework for Probing the Determinants of Binding Specificity and Promiscuity in a Biological Environment

The journal of physical chemistry. B, 2007-11, Vol.111 (47), p.13419-13435

2007

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A fully integrated undergraduate introductory biology and chemistry course with a community‐based focus I: Vision, design, implementation, and development

Biochemistry and molecular biology education, 2021-11, Vol.49 (6), p.859-869

2021

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Effect of the Spiroiminodihydantoin Lesion on Nucleosome Stability and Positioning

Biochemistry (Easton), 2016-04, Vol.55 (16), p.2411-2421

2016

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A fully integrated undergraduate introductory biology and chemistry course with a community‐based focus II: Assessment of course effectiveness

Biochemistry and molecular biology education, 2021-09, Vol.49 (5), p.737-747

2021

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Multiple drugs and multiple targets: An analysis of the electrostatic determinants of binding between non-nucleoside HIV-1 reverse transcriptase inhibitors and variants of HIV-1 RT

Proteins, structure, function, and bioinformatics, 2012-02, Vol.80 (2), p.573-590

2012

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Cellular level models as tools for cytokine design

Biotechnology progress, 2010-07, Vol.26 (4), p.919-937

2010

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A Systematic Approach to Understanding Macromolecular Crowding Effects on Biomolecular Interactions through Computational “Toy” Models

Biophysical journal, 2019-02, Vol.116 (3), p.291a-291a

2019

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The Effect of the Cellular Environment and Conformational Dynamics on Optimal Electrostatic Interactions Within the Barstar-Barnase Complex: A Computational Approach

Biophysical journal, 2019-02, Vol.116 (3), p.561a-561a

2019

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Direct Dynamics for Free Radical Kinetics in Solution: Solvent Effect on the Rate Constant for the Reaction of Methanol with Atomic Hydrogen

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1999-06, Vol.103 (25), p.4893-4909

1999

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Designing electrostatic interactions in biological systems via charge optimization or combinatorial approaches: insights and challenges with a continuum electrostatic framework

Theoretical chemistry accounts, 2012-08, Vol.131 (8), Article 1252

Radhakrishnan, Mala L.

2012

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Effects of Macromolecular Crowding on Antimicrobial Peptide Activity

Biophysical journal, 2018-02, Vol.114 (3), p.456a-456a

2018

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The Quantum Mechanics of a Rolling Molecular “Nanocar”

Electrostatics-Based Computational Design and Experimental Analysis of Buforin II Antimicrobial Peptide Variants with Increased DNA Affinities

The effect of macromolecular crowding on the electrostatic component of barnase-barstar binding: a computational, implicit solvent-based study

Macromolecular crowding effects on electrostatic binding affinity: Fundamental insights from theoretical, idealized models

"I am here because I wanted to shine": how poetry can be used to better understand undergraduate students' first-year chemistry or related course experiences

How to Model for a Living: The CSGF as a Catalyst for Supermodels

A multifaceted analysis of HIV-1 protease multidrug resistance phenotypes

Computationally Modeling Electrostatic Binding Energetics in a Crowded, Dynamic Environment: Physical Insights from a Peptide–DNA System

EMMAs: Implementation and Assessment of a Suite of Cross-Disciplinary, Case-Based High School Activities to Explore Three-Dimensional Molecular Structure, Noncovalent Interactions, and Molecular Dynamics

Investigating the nucleic acid interactions of histone‐derived antimicrobial peptides

A dual receptor crosstalk model of G-protein-coupled signal transduction

Symmetric Signaling by an Asymmetric 1 Erythropoietin: 2 Erythropoietin Receptor Complex

Molecular mechanisms and design principles for promiscuous inhibitors to avoid drug resistance: Lessons learned from HIV-1 protease inhibition

Optimal Drug Cocktail Design: Methods for Targeting Molecular Ensembles and Insights from Theoretical Model Systems

Specificity in Molecular Design: A Physical Framework for Probing the Determinants of Binding Specificity and Promiscuity in a Biological Environment

A fully integrated undergraduate introductory biology and chemistry course with a community‐based focus I: Vision, design, implementation, and development

Effect of the Spiroiminodihydantoin Lesion on Nucleosome Stability and Positioning

A fully integrated undergraduate introductory biology and chemistry course with a community‐based focus II: Assessment of course effectiveness

Multiple drugs and multiple targets: An analysis of the electrostatic determinants of binding between non-nucleoside HIV-1 reverse transcriptase inhibitors and variants of HIV-1 RT

Cellular level models as tools for cytokine design

A Systematic Approach to Understanding Macromolecular Crowding Effects on Biomolecular Interactions through Computational “Toy” Models

The Effect of the Cellular Environment and Conformational Dynamics on Optimal Electrostatic Interactions Within the Barstar-Barnase Complex: A Computational Approach

Direct Dynamics for Free Radical Kinetics in Solution: Solvent Effect on the Rate Constant for the Reaction of Methanol with Atomic Hydrogen

Designing electrostatic interactions in biological systems via charge optimization or combinatorial approaches: insights and challenges with a continuum electrostatic framework

Effects of Macromolecular Crowding on Antimicrobial Peptide Activity

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