Search Results - "Suman Chakrabarty"

Hidden electrostatic basis of dynamic allostery in a PDZ domain by Kumawat, Amit, Chakrabarty, Suman

“…Allosteric effect implies ligand binding at one site leading to structural and/or dynamical changes at a distant site. PDZ domains are classic examples of…”
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Scalable biocatalytic C-H oxyfunctionalization reactions by Chakrabarty, Suman, Wang, Ye, Perkins, Jonathan C, Narayan, Alison R H

“…Catalytic C-H oxyfunctionalization reactions have garnered significant attention in recent years with their ability to streamline synthetic routes toward…”
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Ligand Conformational Flexibility Enables Enantioselective Tertiary C–B Bond Formation in the Phosphonate-Directed Catalytic Asymmetric Alkene Hydroboration by Shao, Huiling, Chakrabarty, Suman, Qi, Xiaotian, Takacs, James M, Liu, Peng

“…Conformationally flexible ancillary ligands have been widely used in transition metal catalysis. However, the benefits of using flexible ligands are often not…”
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Biocatalytic oxidative cross-coupling reactions for biaryl bond formation by Zetzsche, Lara E., Yazarians, Jessica A., Chakrabarty, Suman, Hinze, Meagan E., Murray, Lauren A. M., Lukowski, April L., Joyce, Leo A., Narayan, Alison R. H.

“…Biaryl compounds, with two connected aromatic rings, are found across medicine, materials science and asymmetric catalysis 1 , 2 . The necessity of joining…”
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Effect of Sodium Dodecyl Sulfate Surfactant on Methane Hydrate Formation: A Molecular Dynamics Study by Choudhary, Nilesh, Hande, Vrushali R, Roy, Sudip, Chakrabarty, Suman, Kumar, Rajnish

“…In experimental studies, it has been observed that the presence of sodium dodecyl sulfate (SDS) significantly increases the kinetics of hydrate formation and…”
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A comparison of different water models for melting point calculation of methane hydrate using molecular dynamics simulations by Choudhary, Nilesh, Chakrabarty, Suman, Roy, Sudip, Kumar, Rajnish

“…[Display omitted] •Void-induced melting method used to determine the melting point of methane hydrate.•Void-induced melting substitutes the necessity of…”
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Size-Dependent Order–Disorder Crossover in Hydrophobic Hydration: Comparison between Spherical Solutes and Linear Alcohols by Hande, Vrushali, Chakrabarty, Suman

“…Theory and computer simulation studies have predicted that water molecules around hydrophobic molecules should undergo an order–disorder transition with…”
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Traceless cysteine-linchpin enables precision engineering of lysine in native proteins by Reddy, Neelesh C., Molla, Rajib, Joshi, Pralhad Namdev, T. K., Sajeev, Basu, Ipsita, Kawadkar, Jyotsna, Kalra, Neetu, Mishra, Ram Kumar, Chakrabarty, Suman, Shukla, Sanjeev, Rai, Vishal

“…The maintenance of machinery requires its operational understanding and a toolbox for repair. The methods for the precision engineering of native proteins meet…”
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State-of-the-Art Biocatalysis by Pyser, Joshua B, Chakrabarty, Suman, Romero, Evan O, Narayan, Alison R. H

“…The use of enzyme-mediated reactions has transcended ancient food production to the laboratory synthesis of complex molecules. This evolution has been…”
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Elucidating the microscopic origin of observed anti-correlation between the protein-protein and protein-water interaction energies by Sinha, Krishnendu, Kumawat, Amit, Chakrabarty, Suman

“…Water as a solvent plays an important role in dictating the structure and dynamics of the large biomolecules like proteins. It has been proposed that the…”
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Early age at menarche and its associated factors in school girls (age, 10 to 12 years) in Bangladesh: a cross-section survey in Rajshahi District, Bangladesh by Malitha, Jannatul Maowa, Islam, Md Ariful, Islam, Saima, Al Mamun, Abu Sayed Md, Chakrabarty, Suman, Hossain, Md Golam

“…Early onset of menarche is one of the most important factors for breast cancer and other associated health hazards. The aim of this study was to investigate…”
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Realistic simulation of the activation of voltage-gated ion channels by Dryga, Anatoly, Chakrabarty, Suman, Vicatos, Spyridon, Warshel, Arieh

“…Understanding the detailed mechanism of the activation of voltage-gated ion channels has been a problem of great current interest. Reliable molecular…”
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Critical Assessment of the Interaction between DNA and Choline Amino Acid Ionic Liquids: Evidences of Multimodal Binding and Stability Enhancement by Sahoo, Dipak Kumar, Jena, Subhrakant, Dutta, Juhi, Chakrabarty, Suman, Biswal, Himansu S

“…Long-term storage and stability of DNA is of paramount importance in biomedical applications. Ever since the emergence of ionic liquids (ILs) as alternate…”
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Modeling gating charge and voltage changes in response to charge separation in membrane proteins by Kim, Ilsoo, Chakrabarty, Suman, Brzezinski, Peter, Warshel, Arieh

“…Measurements of voltage changes in response to charge separation within membrane proteins can offer fundamental information on mechanisms of charge transport…”
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Parents' and Guardian's Role in Child's Health Inequalities: A Cross-sectional Study in North 24 Parganas District of West Bengal, India by Subir Biswas, Mithun Das, Suman Chakrabarty

“…Background: Child health inequality between genders is a persisting problem throughout low and middle-income countries like India. With the limited sources of…”
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Enabling Broader Adoption of Biocatalysis in Organic Chemistry by Romero, Evan O., Saucedo, Anthony T., Hernández-Meléndez, José R., Yang, Di, Chakrabarty, Suman, Narayan, Alison R. H.

“…Biocatalysis is becoming an increasingly impactful method in contemporary synthetic chemistry for target molecule synthesis. The selectivity imparted by…”
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Support Vector Regression-Based Monte Carlo Simulation of Flexible Water Clusters by Bose, Samik, Chakrabarty, Suman, Ghosh, Debashree

“…Molecular simulations based on classical force fields are computationally efficient but lack accuracy due to the empirical formulation of non-bonded…”
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Elucidating the mechanism of nucleation near the gas-liquid spinodal by Bhimalapuram, Prabhakar, Chakrabarty, Suman, Bagchi, Biman

“…We have constructed a multidimensional free energy surface of nucleation of the liquid phase from the parent supercooled and supersaturated vapor phase near…”
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Role of Buried Water in the Mechanism of Photoactivation of KR2 Rhodopsin by Chakrabarty, Suman

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Prevalence and Covariates of Vitamin D Deficiencies (VDD) among Adolescents in India by Chakrabarty, Suman

“…Objective To estimate the overall burden of vitamin D deficiencies (VDD) among Indian adolescents aged 10–19 y and to explore some selected covariates to…”
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