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Mukherjee, Saumyak and Deshmukh, Ashish A and Mondal, Sayantan and Gopal, Balasubramanian and Bagchi, Biman (2019) Destabilization of Insulin Hexamer in Water-Ethanol Binary Mixture. In: JOURNAL OF PHYSICAL CHEMISTRY B, 123 (49). pp. 10365-10375.
Muttathukattil, Aswathy N and Srinivasan, Sriraksha and Halder, Antarip and Reddy, Govardhan (2019) Role of Guanidinium-Carboxylate Ion Interaction in Enzyme Inhibition with Implications for Drug Design. In: JOURNAL OF PHYSICAL CHEMISTRY B, 123 (44). pp. 9302-9311.
Samajdar, Rudra N and Kumar, Chandan and Viswanath, P and Bhattacharyya, Aninda J (2019) Studying Hemoglobin and a Bare Metal-Porphyrin Complex Immobilized on Functionalized Silicon Surfaces Using Synchrotron X-ray Reflectivity. In: JOURNAL OF PHYSICAL CHEMISTRY B, 123 (35, SI). pp. 7492-7503.
Panda, Somenath and Kundu, Kaushik and Kiefer, Johannes and Umapathy, Siva and Gardas, Ramesh L. (2019) Molecular-Level Insights into the Microstructure of a Hydrated and Nanoconfined Deep Eutectic Solvent. In: JOURNAL OF PHYSICAL CHEMISTRY B, 123 (15). pp. 3359-3371.
Muttathukattil, Aswathy N and Singh, Prashant Chandra and Reddy, Govardhan (2019) Role of Disulfide Bonds and Topological Frustration in the Kinetic Partitioning of Lysozyme Folding Pathways. In: JOURNAL OF PHYSICAL CHEMISTRY B, 123 (15). pp. 3232-3241.
Rajasekaran, M and Ayappa, Ganapathy K (2019) Enhancing the Dynamics of Water Confined between Graphene Oxide Surfaces with Janus Interfaces: A Molecular Dynamics Study. In: JOURNAL OF PHYSICAL CHEMISTRY B, 123 (13). pp. 2978-2993.
Sahoo, Anil Kumar and Bagchi, Biman and Maiti, Prabal K (2019) Unfolding Dynamics of Ubiquitin from Constant Force MD Simulation: Entropy-Enthalpy Interplay Shapes the Free-Energy Landscape. In: JOURNAL OF PHYSICAL CHEMISTRY B, 123 (6). pp. 1228-1236.
Sivajothi, Sindhana Selvi Pannir and Lin, Shiang-Tai and Maiti, Prabal K (2019) Efficient Computation of Entropy and Other Thermodynamic Properties for Two-Dimensional Systems Using Two-Phase Thermodynamic Model. In: JOURNAL OF PHYSICAL CHEMISTRY B, 123 (1). pp. 180-193.
Sen, Sudeshna and Zhu, Haijin and Forsyth, Maria and Bhattacharyya, Aninda J (2019) Time-Temperature Scaling and Dielectric Modeling of Conductivity Spectra of Single-Ion Conducting Liquid Dendrimer Electrolytes. In: JOURNAL OF PHYSICAL CHEMISTRY B, 123 (1). pp. 207-215.
Ghanghas, Ritu and Jindal, Aman and Vasudevan, Sukumaran (2018) Distinguishing Intra- and Intermolecular Interactions in Liquid 1,2-Ethanediol by H-1 NMR and Ab Initio Molecular Dynamics. In: JOURNAL OF PHYSICAL CHEMISTRY B, 122 (42). pp. 9757-9762.
Mondal, Sayantan and Samajdar, Rudra N and Mukherjee, Saumyak and Bhattacharyya, Aninda J and Bagchi, Biman (2018) Unique Features of Metformin: A Combined Experimental, Theoretical, and Simulation Study of Its Structure, Dynamics, and Interaction Energetics with DNA Grooves. In: JOURNAL OF PHYSICAL CHEMISTRY B, 122 (8). pp. 2227-2242.
Mukherjee, Saumyak and Mondal, Sayantan and Deshmukh, Ashish Anilrao and Gopal, Balasubramanian and Bagchi, Biman (2018) What Gives an Insulin Hexamer Its Unique Shape and Stability? Role of Ten Confined Water Molecules. In: JOURNAL OF PHYSICAL CHEMISTRY B, 122 (5). pp. 1631-1637.
Reddy, Govardhan and Thirumalai, D (2017) Collapse Precedes Folding in Denaturant-Dependent Assembly of Ubiquitin. In: JOURNAL OF PHYSICAL CHEMISTRY B, 121 (5). pp. 995-1009.
Moitra, Parikshit and Subramanian, Yashonath and Bhattacharya, Santanu (2017) Concentration Dependent Self-Assembly of TrK-NGF Receptor Derived Tripeptide: New Insights from Experiment and Computer Simulations. In: JOURNAL OF PHYSICAL CHEMISTRY B, 121 (4). pp. 815-824.
Jindal, Aman and Vasudevan, Sukumaran (2017) Conformation of Ethylene Glycol in the Liquid State: Intra-versus Intermolecular Interactions. In: JOURNAL OF PHYSICAL CHEMISTRY B, 121 (22). pp. 5595-5600.
Jamithireddy, Anil K and Samajdar, Rudra N and Gopal, B and Bhattacharyya, Aninda J (2017) Determination of Redox Sensitivity in Structurally Similar Biological Redox Sensors. In: JOURNAL OF PHYSICAL CHEMISTRY B, 121 (29). pp. 7005-7015.
Tyagi, Neha and Cherayil, Binny J (2017) Non-Gaussian Brownian Diffusion in Dynamically Disordered Thermal Environments. In: JOURNAL OF PHYSICAL CHEMISTRY B, 121 (29). pp. 7204-7209.
Mishra, Kamini and Chakrabarti, Abhijit and Das, Puspendu K (2017) Protein Protein Interaction Probed by Label-free Second Harmonic Light Scattering: Hemoglobin Adsorption on Spectrin Surface as a Case Study. In: JOURNAL OF PHYSICAL CHEMISTRY B, 121 (33). pp. 7797-7802.
Dey, Atreya and Reddy, Govardhan (2017) Toroidal Condensates by Semiflexible Polymer Chains: Insights into Nucleation, Growth and Packing Defects. In: JOURNAL OF PHYSICAL CHEMISTRY B, 121 (39). pp. 9291-9301.
Panda, Somenath and Kundu, Kaushik and Singh, Akhil Pratap and Senapati, Sanjib and Gardas, Ramesh L (2017) Understanding Differential Interaction of Protic and Aprotic Ionic Liquids inside Molecular Confinement. In: JOURNAL OF PHYSICAL CHEMISTRY B, 121 (41). pp. 9676-9687.
Manogaran, Dhivya and Subramanian, Yashonath (2017) Understanding Translational-Rotational Coupling in Liquid Water through Changes in Mass Distribution. In: JOURNAL OF PHYSICAL CHEMISTRY B, 121 (50). pp. 11344-11355.
Tummanapelli, Anil Kumar and Vasudevan, Sukumaran (2016) Ab Initio MD Simulations of the Bronsted Acidity of Glutathione in Aqueous Solutions: Predicting pK(a) Shifts of the Cysteine Residue. In: JOURNAL OF PHYSICAL CHEMISTRY B, 119 (49). pp. 15353-15358.
Saurabh, Suman and Glaser, Matthew A and Lansac, Yves and Maiti, Prabal K (2016) Atomistic Simulation of Stacked Nucleosome Core Particles: Tail Bridging, the H4 Tail, and Effect of Hydrophobic Forces. In: JOURNAL OF PHYSICAL CHEMISTRY B, 120 (12). pp. 3048-3060.
Rao, Hemanth Giri V V and Desikan, Rajat and Ayappa, Ganapathy K and Gosavi, Shachi (2016) Capturing the Membrane-Triggered Conformational Transition of an alpha-Helical Pore-Forming Toxin. In: JOURNAL OF PHYSICAL CHEMISTRY B, 120 (47). pp. 12064-12078.
Bag, Saientan and Jain, Manish and Maiti, Prabal K (2016) Charge Transport in Dendrimer Melts Using Multiscale Modeling Simulation. In: JOURNAL OF PHYSICAL CHEMISTRY B, 120 (34). pp. 9142-9151.
Jain, Rohit and Sebastian, Kizhakeyil L (2016) Diffusing Diffusivity: Survival in a Crowded Rearranging and Bounded Domain. In: JOURNAL OF PHYSICAL CHEMISTRY B, 120 (34). pp. 9215-9222.
Jain, Rohit and Sebastian, Kizhakeyil L (2016) Diffusion in a Crowded, Rearranging Environment. In: JOURNAL OF PHYSICAL CHEMISTRY B, 120 (16). pp. 3988-3992.
Liu, Zhenxing and Reddy, Govardhan and Thirumalai, D (2016) Folding PDZ2 Domain Using the Molecular Transfer Model. In: JOURNAL OF PHYSICAL CHEMISTRY B, 120 (33). pp. 8090-8101.
Sen, Sudeshna and Malunavar, Sneha and Bhattacharyya, Aninda J (2016) Ion Transport Mechanism of a Gel Electrolyte Comprising a Salt in Binary Plastic Crystalline Mixtures Confined inside a Polymer Network. In: JOURNAL OF PHYSICAL CHEMISTRY B, 120 (38). pp. 10153-10161.
Muttathukattil, Aswathy N and Reddy, Govardhan (2016) Osmolyte Effects on the Growth of Amyloid Fibrils. In: JOURNAL OF PHYSICAL CHEMISTRY B, 120 (42). pp. 10979-10989.
Vadhana, V and Ayappa, KG (2016) Structure and Dynamics of Octamethylcyclotetrasiloxane Confined between Mica Surfaces. In: JOURNAL OF PHYSICAL CHEMISTRY B, 120 (11). pp. 2951-2967.
Ghosh, Rikhia and Bagchi, Biman (2016) Temperature Dependence of Static and Dynamic Heterogeneities in a Water-Ethanol Binary Mixture and a Study of Enhanced, Short Lived Fluctuations at Low Concentrations. In: JOURNAL OF PHYSICAL CHEMISTRY B, 120 (49). pp. 12568-12583.
Tummanapelli, Anil Kumar and Vasudevan, Sukumaran (2015) Ab Initio Molecular Dynamics Simulations of Amino Acids in Aqueous Solutions: Estimating pK(a) Values from Metadynamics Sampling. In: JOURNAL OF PHYSICAL CHEMISTRY B, 119 (37). pp. 12249-12255.
Garai, Ashok and Saurabh, Suman and Lansac, Yves and Maiti, Prabal K (2015) DNA Elasticity from Short DNA to Nucleosomal DNA. In: JOURNAL OF PHYSICAL CHEMISTRY B, 119 (34). pp. 11146-11156.
Reddy, Govardhan and Thirumalai, D (2015) Dissecting Ubiquitin Folding Using the Self-Organized Polymer Model. In: JOURNAL OF PHYSICAL CHEMISTRY B, 119 (34). pp. 11358-11370.
Dhar, Joydeep and Mukhopadhay, Tushita and Yaacobi-Gross, Nir and Anthopoulos, Thomas D and Salzner, Ulrike and Swaraj, Sufal and Patil, Satish (2015) Effect of Chalcogens on Electronic and Photophysical Properties of Vinylene-Based Diketopyrrolopyrrole Copolymers. In: JOURNAL OF PHYSICAL CHEMISTRY B, 119 (34). pp. 11307-11316.
Santhosha, Aggunda L and Bhattacharyya, Aninda J (2015) A Few Case Studies on the Correlation of Particle Network and Its Stability on the Ionic Conductivity of Solid-Liquid Composite Electrolytes. In: JOURNAL OF PHYSICAL CHEMISTRY B, 119 (34). pp. 11317-11325.
Pavan, Mysore S and Jana, Ajay Kumar and Natarajan, S and Row, Tayur N Guru (2015) Halogen Bonding and Chalcogen Bonding in 4,7-Dibromo-5, 6-dinitro-2,1,3-benzothiadiazole. In: JOURNAL OF PHYSICAL CHEMISTRY B, 119 (34). pp. 11382-11390.
Kumar, Parveen and Kulkarni, Anant D and Yashonath, S (2015) Influence of a Counterion on the Ion Atmosphere of an Anion: A Molecular Dynamics Study of LiX and CsX (X = F-, Cl-, I-) in Methanol. In: JOURNAL OF PHYSICAL CHEMISTRY B, 119 (34). pp. 10921-10933.
Ali, Asfa and Bansal, Manju and Bhattacharya, Santanu (2015) Ligand 5,10,15,20-Tetra(N-methyl-4-pyridyl)porphine (TMPyP4) Prefers the Parallel Propeller-Type Human Telomeric G-Quadruplex DNA over Its Other Polymorphs. In: JOURNAL OF PHYSICAL CHEMISTRY B, 119 (1). pp. 5-14.
Kanchi, Subbarao and Suresh, Gorle and Priyakumar, Deva U and Ayappa, KG and Maiti, Prabal K (2015) Molecular Dynamics Study of the Structure, Flexibility, and Hydrophilicity of PETIM Dendrimers: A Comparison with PAMAM Dendrimers. In: JOURNAL OF PHYSICAL CHEMISTRY B, 119 (41). pp. 12990-13001.
Kundu, Partha P and Bhowmick, Tuhin and Swapna, Ganduri and Kumar, Pavan GV and Nagaraja, Valakunja and Narayana, Chandrabhas (2014) Allosteric Transition Induced by Mg2+ Ion in a Transactivator Monitored by SERS. In: JOURNAL OF PHYSICAL CHEMISTRY B, 118 (20). pp. 5322-5330.
Mukherjee, Sumanta and Saha, Arnab and Santra, Pralay K and Sengupta, Surajit and Sarma, DD (2014) Beyond the ``Coffee Ring'': Re-entrant Ordering in an Evaporation-Driven Self-Assembly in a Colloidal Suspension on a Substrate. In: JOURNAL OF PHYSICAL CHEMISTRY B, 118 (9). pp. 2559-2567.
Roy, Susmita and Bagchi, Biman (2014) Comparative Study of Protein Unfolding in Aqueous Urea and Dimethyl Sulfoxide Solutions: Surface Polarity, Solvent Specificity, and Sequence of Secondary Structure Melting. In: JOURNAL OF PHYSICAL CHEMISTRY B, 118 (21). pp. 5691-5697.
Mandal, Taraknath and Kumar, Mattaparthi Venkata Satish and Maiti, Prabal K (2014) DNA Assisted Self-Assembly of PAMAM Dendrimers. In: JOURNAL OF PHYSICAL CHEMISTRY B, 118 (40). pp. 11805-11815.
Tummanapelli, Anil Kumar and Vasudevan, Sukumaran (2014) Dissociation Constants of Weak Acids from ab Initio Molecular Dynamics Using Metadynamics: Influence of the Inductive Effect and Hydrogen Bonding on pK(a) Values. In: JOURNAL OF PHYSICAL CHEMISTRY B, 118 (47, SI). pp. 13651-13657.
Gupta, Asmita and Bansal, Manju (2014) Local Structural and Environmental Factors Define the Efficiency of an RNA Pseudoknot Involved in Programmed Ribosomal Frameshift Process. In: JOURNAL OF PHYSICAL CHEMISTRY B, 118 (41). pp. 11905-11920.
Bharati, Avanish and Xavier, Priti and Kar, Goutam Prasanna and Madras, Giridhar and Bose, Suryasarathi (2014) Nanoparticle-Driven Intermolecular Cooperativity and Miscibility in Polystyrene/Poly(vinyl methyl ether) Blends. In: JOURNAL OF PHYSICAL CHEMISTRY B, 118 (8). pp. 2214-2225.
Ramesh, K (2014) Pressure Dependence of Glass Transition in As2Te3 Glass. In: JOURNAL OF PHYSICAL CHEMISTRY B, 118 (29). pp. 8848-8853.
Bagchi, Kushal and Roy, Susmita (2014) Sensitivity of Water Dynamics to Biologically Significant Surfaces of Monomeric Insulin: Role of Topology and Electrostatic Interactions. In: JOURNAL OF PHYSICAL CHEMISTRY B, 118 (14). pp. 3805-3813.
De, Soumi and Ray, Manisha and Pati, Anusooya Y and Das, Puspendu K (2013) Base Triggered Enhancement of First Hyperpolarizability of a Keto-Enol Tautomer. In: JOURNAL OF PHYSICAL CHEMISTRY B, 117 (48). pp. 15086-15092.
Chaudhari, Sachin Rama and Mogurampelly, Santosh and Suryaprakash, N (2013) Engagement of CF3 Group in N-H center dot center dot center dot F-C Hydrogen Bond in the Solution State: NMR Spectroscopy and MD Simulation Studies. In: JOURNAL OF PHYSICAL CHEMISTRY B, 117 (4). pp. 1123-1129.
Santra, Mantu and Singh, Rakesh S and Bagchi, Biman (2013) Nucleation of a Stable Solid from Melt in the Presence of Multiple Metastable Intermediate Phases: Wetting, Ostwald's Step Rule, and Vanishing Polymorphs. In: JOURNAL OF PHYSICAL CHEMISTRY B, 117 (42). pp. 13154-13163.
Chakrabarty, Arkajyoti and Maitra, Uday (2013) Organogels from Dimeric Bile Acid Esters: In Situ Formation of Gold Nanoparticles. In: JOURNAL OF PHYSICAL CHEMISTRY B, 117 (26). pp. 8039-8046.
Kumar, Parveen and Varanasi, Srinivasa R and Yashonath, S (2013) Relation Between the Diffusivity, Viscosity, and Ionic Radius of LiCl in Water, Methanol, and Ethylene Glycol: A Molecular Dynamics Simulation. In: JOURNAL OF PHYSICAL CHEMISTRY B, 117 (27). pp. 8196-8208.
Ghosh, Rikhia and Roy, Susmita and Bagchi, Biman (2013) Solvent Sensitivity of Protein Unfolding: Dynamical Study of Chicken Villin Headpiece Subdomain in Water Ethanol Binary Mixture. In: JOURNAL OF PHYSICAL CHEMISTRY B, 117 (49, SI). pp. 15625-15638.
Mandal, Soumit S and Bhaduri, Satarupa and Amenitsch, Heinz and Bhattacharyya, Aninda J (2012) Synchrotron Small-Angle X-ray Scattering Studies of Hemoglobin Nonaggregation Confined inside Polymer Capsules. In: JOURNAL OF PHYSICAL CHEMISTRY B, 116 (32). pp. 9604-9610.
Sonti, Rajesh and Rai, Rajkishor and Ragothama, Srinivasarao and Balaram, Padmanabhan (2012) NMR Analysis of Cross Strand Aromatic Interactions in an 8 Residue Hairpin and a 14 Residue Three Stranded beta-Sheet Peptide. In: JOURNAL OF PHYSICAL CHEMISTRY B, 116 (49). pp. 14207-14215.
Pascal, Tod A and Goddard, William A and Maiti, Prabal K and Vaidehi, Nagarajan (2012) Role of Specific Cations and Water Entropy on the Stability of Branched DNA Motif Structures. In: JOURNAL OF PHYSICAL CHEMISTRY B, 116 (40). pp. 12159-12167.
Pal, Asish and Datta, Sougata and Aswal, VK and Bhattacharya, Santanu (2012) Small-Angle Neutron-Scattering Studies of Mixed Micellar Structures Made of Dimeric Surfactants Having Imidazolium and Ammonium Headgroups. In: JOURNAL OF PHYSICAL CHEMISTRY B, 116 (44). pp. 13239-13247.
Chandra, Amalendu and Bagchi, Biman (2000) Beyond the Classical Transport Laws of Electrochemistry: New Microscopic Approach to Ionic Conductance and Viscosity. In: JOURNAL OF PHYSICAL CHEMISTRY B, 104 (39). pp. 9067-9080.
