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Homology‐based hydrogen bond information improves crystallographic structures in the PDB

Protein science, 2018-03, Vol.27 (3), p.798-808

2018

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Efficient Generation of Bispecific Murine Antibodies for Pre-Clinical Investigations in Syngeneic Rodent Models

Scientific reports, 2017-05, Vol.7 (1), p.2476-14, Article 2476

2017

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Exploiting the potential energy landscape to sample free energy

Wiley interdisciplinary reviews. Computational molecular science, 2015-05, Vol.5 (3), p.273-289

2015

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Modeling Chromatography Binding through Molecular Dynamics Simulations with Resin Fragments

The journal of physical chemistry. B, 2024-06, Vol.128 (23), p.5557-5566

2024

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Accelerated convergence of molecular free energy via superposition approximation-based reference states

The Journal of chemical physics, 2011-04, Vol.134 (13), p.134107-134107-11

2011

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Functional, Biophysical, and Structural Characterization of Human IgG1 and IgG4 Fc Variants with Ablated Immune Functionality

Antibodies (Basel), 2017-09, Vol.6 (3), p.12

2017

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Sampling conformations in high dimensions using low-dimensional distribution functions

The Journal of chemical physics, 2009-04, Vol.130 (13), p.134102-134102-20

2009

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Cloning, soluble expression and purification of high yield recombinant hGMCSF in Escherichia coli

International journal of molecular sciences, 2011-03, Vol.12 (3), p.2064-2076

2011

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Cyclic Peptide Linker Design and Optimization by Molecular Dynamics Simulations

Journal of chemical information and modeling, 2023-11, Vol.63 (21), p.6863-6876

2023

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MELD-Bracket Ranks Binding Affinities of Diverse Sets of Ligands

Journal of chemical information and modeling, 2023-05, Vol.63 (9), p.2857-2865

2023

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Computational Characterization of Antibody–Excipient Interactions for Rational Excipient Selection Using the Site Identification by Ligand Competitive Saturation-Biologics Approach

Molecular pharmaceutics, 2020-11, Vol.17 (11), p.4323-4333

2020

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Structural basis of the human NAIP/NLRC4 inflammasome assembly and pathogen sensing

Nature structural & molecular biology, 2024-01, Vol.31 (1), p.82

2024

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Surface salt bridges contribute to the extreme thermal stability of an FN3‐like domain from a thermophilic bacterium

Proteins, structure, function, and bioinformatics, 2022-01, Vol.90 (1), p.270-281

2022

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Product-Specific Impact of Viscosity Modulating Formulation Excipients During Ultra-High Concentration Biotherapeutics Drug Product Development

Journal of pharmaceutical sciences, 2021-03, Vol.110 (3), p.1077-1082

2021

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Energy landscapes and global thermodynamics for alanine peptides

The Journal of chemical physics, 2013-09, Vol.139 (12), p.121909-121909

2013

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Residue-Specific Impact of EDTA and Methionine on Protein Oxidation in Biotherapeutics Formulations Using an Integrated Biotherapeutics Drug Product Development Workflow

Journal of pharmaceutical sciences, 2023-02, Vol.112 (2), p.471-481

2023

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Toward Biotherapeutics Formulation Composition Engineering using Site-Identification by Ligand Competitive Saturation (SILCS)

Journal of pharmaceutical sciences, 2021-03, Vol.110 (3), p.1103-1110

2021

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Terrain Mapping Camera-2 onboard Chandrayaan-2 Orbiter

Current science (Bangalore), 2020-02, Vol.118 (4), p.566-572

2020

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A conformational factorisation approach for estimating the binding free energies of macromolecules

Physical chemistry chemical physics : PCCP, 2014-02, Vol.16 (7), p.2842-2853

2014

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Configurational entropy in protein-peptide binding: computational study of Tsg101 ubiquitin E2 variant domain with an HIV-derived PTAP nonapeptide

Journal of molecular biology, 2009-06, Vol.389 (2), p.315-335

2009

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Equilibrium Molecular Thermodynamics from Kirkwood Sampling

The journal of physical chemistry. B, 2015-05, Vol.119 (20), p.6155-6169

2015

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A conformational factorisation approach for estimating the binding free energies of macromoleculesElectronic supplementary information (ESI) available: The maximum rotation amplitudes for each amino acid chain group (Table S1), the average CPU time for diagonalisation of the Hessian matrix (Fig. S1), the potential energy correlation between in vacuum and implicit solvent (Fig. S2), and Hessian expression in local rigid body coordinates are available as ESI. See DOI: 10.1039/c3cp53537a

2014-01

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Modeling and simulation of biological systems with stochasticity

In silico biology, 2004, Vol.4 (3), p.293

2004

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Over expression and analysis of O-glycosylated recombinant human granulocyte colony stimulating factor in Pichia pastoris using Agilent 2100 Bioanalyzer

Journal of biotechnology, 2009-08, Vol.143 (1), p.44-50

2009

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Hydration of a hydrophobic cavity and its functional role: A simulation study of human interleukin-1β

Proteins, structure, function, and bioinformatics, 2007-06, Vol.67 (4), p.868-885

2007

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Homology‐based hydrogen bond information improves crystallographic structures in the PDB

Efficient Generation of Bispecific Murine Antibodies for Pre-Clinical Investigations in Syngeneic Rodent Models

Exploiting the potential energy landscape to sample free energy

Modeling Chromatography Binding through Molecular Dynamics Simulations with Resin Fragments

Accelerated convergence of molecular free energy via superposition approximation-based reference states

Functional, Biophysical, and Structural Characterization of Human IgG1 and IgG4 Fc Variants with Ablated Immune Functionality

Sampling conformations in high dimensions using low-dimensional distribution functions

Cloning, soluble expression and purification of high yield recombinant hGMCSF in Escherichia coli

Cyclic Peptide Linker Design and Optimization by Molecular Dynamics Simulations

MELD-Bracket Ranks Binding Affinities of Diverse Sets of Ligands

Computational Characterization of Antibody–Excipient Interactions for Rational Excipient Selection Using the Site Identification by Ligand Competitive Saturation-Biologics Approach

Structural basis of the human NAIP/NLRC4 inflammasome assembly and pathogen sensing

Surface salt bridges contribute to the extreme thermal stability of an FN3‐like domain from a thermophilic bacterium

Product-Specific Impact of Viscosity Modulating Formulation Excipients During Ultra-High Concentration Biotherapeutics Drug Product Development

Energy landscapes and global thermodynamics for alanine peptides

Residue-Specific Impact of EDTA and Methionine on Protein Oxidation in Biotherapeutics Formulations Using an Integrated Biotherapeutics Drug Product Development Workflow

Toward Biotherapeutics Formulation Composition Engineering using Site-Identification by Ligand Competitive Saturation (SILCS)

Terrain Mapping Camera-2 onboard Chandrayaan-2 Orbiter

A conformational factorisation approach for estimating the binding free energies of macromolecules

Configurational entropy in protein-peptide binding: computational study of Tsg101 ubiquitin E2 variant domain with an HIV-derived PTAP nonapeptide

Equilibrium Molecular Thermodynamics from Kirkwood Sampling

Modeling and simulation of biological systems with stochasticity

Over expression and analysis of O-glycosylated recombinant human granulocyte colony stimulating factor in Pichia pastoris using Agilent 2100 Bioanalyzer

Hydration of a hydrophobic cavity and its functional role: A simulation study of human interleukin-1β

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