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Maity, Koustav and Bajaj, Preeti and Surolia, Namita and Surolia, Avadhesha and Suguna, Kaza (2012) Insights into the Substrate Specificity of a Thioesterase Rv0098 of Mycobacterium Tuberculosis through X-ray Crystallographic and Molecular Dynamics Studies. In: Journal of Biomolecular Structure & Dynamics, 29 (5). pp. 973-983.

Bairagya, HR and Mukhopadhyay, BP and Sekar, K (2009) An Insight to the Dynamics of Conserved Water Molecular Triad in IMPDH II (Human): Recognition of Cofactor and Substrate to Catalytic Arg 322. In: Journal of Biomolecular Structure & Dynamics, 27 (2). pp. 149-158.

Jha, Anupam Nath and Vishveshwara, Saraswathi (2009) Inter-helical Interactions in Membrane Proteins: Analysis Based on the Local Backbone Geometry and the Side Chain Interactions. In: Journal of Biomolecular Structure & Dynamics, 26 (6). pp. 719-729.

Marathe, Arvind and Bansal, Manju (2009) Structural Polymorphism of the Nucleosomal DNA and Implications for Protein Binding. In: Journal of Biomolecular Structure & Dynamics, 26 (6). pp. 925-926.

Bairagya, Hridoy R and Mukhopadhyay, Bishnu P and Sekarz, K (2009) Conserved Water Mediated H-bonding Dynamics of Inhibitor, Cofactor, Asp 364 and Asn 303 in Human IMPDH II. In: Journal of Biomolecular Structure & Dynamics, 26 (4). pp. 497-507.

Sandhya, S and Chakrabarti, S and Abhinandan, KR and Sowdhamini, R and Srinivasan, N (2005) Assessment of a rigorous transitive profile based search method to detect remotely similar proteins. In: Journal of Biomolecular Structure & Dynamics, 23 (3). pp. 283-298.

Madhumalar, A and Bansal, Manju (2005) Sequence preference for BI/BII conformations in DNA: MD and crystal structure data analysis. In: Journal of Biomolecular Structure & Dynamics, 23 (1). pp. 13-27.

Sanjeev, BS and Vishveshwara, S (2005) Dynamics of the Native and the Ligand-bound Structures of Eosinophil Cationic Protein: Network of Hydrogen Bonds at the Catalytic Site. In: Journal of Biomolecular Structure & Dynamics, 22 (6). pp. 657-672.

Muralidharan, J and Suguna, K and Surolia, A and Surolia, N (2003) Exploring the interaction energies for the binding of hydroxydiphenyl ethers to enoyl-acyl carrier protein reductases. In: Journal of Biomolecular Structure & Dynamics, 20 (4). pp. 589-594.

Ghosh, Mrinal Kanti and Katyal, Anju and Brahmachari, Vani and Chandra, Ramesh (2002) Design and structural analysis of hairpin-TFO for transcriptional activation of genes in S-cerevisiae. In: Journal of Biomolecular Structure & Dynamics, 20 (2). pp. 265-273.

Bhattacharya, S and Thomas, M (2002) DNA binding properties of novel dansylated distamycin analogues in which the fluorophore is directly conjugated to the N-methyl-pyrrole carboxamide backbone. In: Journal of Biomolecular Structure & Dynamics, 19 (5). pp. 935-945.

Pataskar, Shashank S and Dash, Debasis and Brahmachari, Samir K (2001) Progressive Myoclonus Epilepsy [EPM1] repeat $d(CCCCGCCCCGCG)_n$ forms folded hairpin structures at physiological pH. In: Journal of Biomolecular Structure & Dynamics, 19 (2). pp. 293-306.

Moorthy, Anu K and Murthy, MRN (2001) Conformation and Structural Transitions in the EFHands of Calmodulin. In: Journal of Biomolecular Structure & Dynamics, 19 (1). pp. 47-57.

Madhusudhan, MS and Vishveshwara, S (2001) Deducing Hydration Sites of a Protein from Molecular Dynamics Simulations. In: Journal of Biomolecular Structure & Dynamics, 19 (1). pp. 105-114.

Bakshi, R and Galande, S and Muniyappa, K (2001) Substrate specificity plays an important role in uncoupling the catalytic and scaffolding activities of rat testis DNA topoisomerase IIalpha. In: Journal of Biomolecular Structure & Dynamics, 18 (5). pp. 749-760.

Chowdhury, S and Bansal , M (2001) A nanosecond molecular dynamics study of antiparallel d(G)(7) quadruplex structures: Effect of the coordinated cations. In: Journal of Biomolecular Structure & Dynamics, 18 (5). pp. 647-669.

Chowdhury, Shibasish and Bansal, Manju (2000) Effect of coordinated ions on structure and flexibility of parallel G-quadruplexes: A molecular dynamics study. In: Journal of Biomolecular Structure & Dynamics, 18 (1). pp. 11-28.

Chowdhury, Shibasish and Bansal, Manju (2000) Effect of coordinated ions on structure and flexiblity of parallel G-quandruplexes: a molecular dynamics study. In: Journal of Biomolecular Structure & Dynamics, 18 (1). pp. 11-28.

Narasimhamurthy, Shanaiah and Naganagowda, Gowda A and Janagani, Satyanarayana and Gururaja, Tarikere L and Levine, Michael J (2000) Solution structure of O-glycosylated C-terminal leucine zipper domain of human salivary mucin (MUC7). In: Journal of Biomolecular Structure & Dynamics, 18 (1). pp. 145-154.

Bansal, Manju and Sandeep Kumar, * and Velavan, R (2000) HELANAL: A program to characterise helix geometry in proteins,. In: Journal of Biomolecular Structure & Dynamics, 17 (5). pp. 769-932.

Parbhane, Rupali V and Unniraman, Shyam and Tambe, Sanjeev S and Nagaraja, Valkunja and Kulkarni, Bhaskar D (2000) Optimum DNA Curvature Using a Hybrid Approach Involving an Artificial Neural Network and Genetic Algorithm. In: Journal of Biomolecular Structure & Dynamics, 17 (4). pp. 665-672.

Madhusudhan, MS and Vishveshwara, S (1998) Modeling of angiogenin-3 '-NMP complex. In: Journal of Biomolecular Structure & Dynamics, 16 (3). pp. 715-722.

Ravi Kiran, M and Bansal, Manju (1998) Molecular dynamics simulations on parallel and antiparallel C.G*G triplexes. In: Journal of Biomolecular Structure & Dynamics, 16 (3). pp. 511-526.

Balakrishnan, G and Babaei, A and McQuillan, AJ and Umapathy, S (1998) Resonance Raman and infrared spectral studies on radical anions of model photosynthetic reaction center quinones (naphthoquinone derivatives). In: Journal of Biomolecular Structure & Dynamics, 16 (01). pp. 123-131.

Padiyar, G Sreekanta and Seshadri, TP (1998) Metal-Nucleotide Interactions: Crystal Structures of Alkali (Li+, Na+, K+) and Alkaline Earth (Ca2+, Mg2+) Metal Complexes of Adenosine 2'-Monophosphate. In: Journal of Biomolecular Structure & Dynamics, 15 (4). pp. 803-821.

Padiyar, GS and Seshadri, TP (1998) Preference for Syn conformation: Crystal structures of free acid and ammonium salt of adenosine 2 '-monophosphate: An inhibitor of RNase T-1. In: Journal of Biomolecular Structure & Dynamics, 15 (4). pp. 793-802.

Kiran, MR and Bansal, M (1997) Sequence Independent Recombination Triple Helices: A Molecular Dynamics Study. In: Journal of Biomolecular Structure & Dynamics, 15 (2). pp. 333-345.

Rajashankar , KR and Ramakumar, S and Jain, RM and Chauhan, VS (1996) Helix termination and chain reversal: Crystal and molecular structure of the alpha,beta-dehydrooctapeptide Boc-Val Delta Phe-Phe-Ala-Leu-Ala-Delta Phe-Leu-OH. In: Journal of Biomolecular Structure & Dynamics, 13 (4). 641-647 .

Anachi, RB and Bansal, Manju and Easwaran, KRK and Namboodri, K and Gaber, BP (1995) Molecular Modeling Studies on Amphotericin B and its Complex with Phospholipid,. In: Journal of Biomolecular Structure & Dynamics, 12 (5). pp. 957-970.

Kiran, MR and Bansal , M (1995) Structural Polymorphism in d(T).d(A)*d(T) Triple Helices. In: Journal of Biomolecular Structure & Dynamics, 13 (3). 493-505 .

Namboodiri , K and Gaber , BP and Easwaran , ER and Balasubramanian , SV (1994) Calcium ionophore, A23187 and its amino acid complexes: spectroscopic and molecular modeling studies. In: Journal of Biomolecular Structure & Dynamics, 11 (5). 913 -926.

Bhattacharyya , D and Bansal, M (1994) Analysis of sequence dependent variations in secondary and tertiary structure of tRNA molecules. In: Journal of Biomolecular Structure & Dynamics, 11 (6). pp. 1251-1275.

Seshadri, K and Balaji, PV and Rao, VS and Vishveshwara, S (1993) Computer modelling studies of ribonuclease A-pyrimidine nucleotide complexes. In: Journal of Biomolecular Structure & Dynamics, 11 (2). pp. 395-415.

Balaji, PV and Saenger, W and Rao, VS (1993) Computer modeling studies on the binding of 2',5'-linked dinucleoside phosphates to ribonuclease T1-influence of subsite interactions on the substrate specificity. In: Journal of Biomolecular Structure & Dynamics, 10 (5). pp. 891-903.

Bagga, R and Brahmachari, SK (1993) Polypurine-polypyrimidine sequences adopt unwound structure in pBR322 form V DNA as probed by single-hit analysis of HpaII sites. In: Journal of Biomolecular Structure & Dynamics, 10 (5). pp. 879-890.

Krishnan, R and Seshadri, TP (1993) Stereochemistry of 2'-5' linked nucleic acids: crystal and molecular structure of ammonium adenylyl-2',5'-adenosine tetrahydrate: a core fragment of 2'-5' oligo A's produced by interferon induced adenylate synthetase. In: Journal of Biomolecular Structure & Dynamics, 10 (4). pp. 727-745.

Balakrishnan, Rajini A and Easwaran, KRK (1993) Conformation of polyene antibiotic, filipin III: CD and proton NMR studies. In: Journal of Biomolecular Structure & Dynamics, 11 (2). pp. 417-428.

Chandrasekhar, I and Gaber, BP and Nagumo, M (1992) Lipid conformational nomenclature: a general method. In: Journal of Biomolecular Structure & Dynamics, 10 (1). pp. 239-251.

Seshadri, K and Rao, VS and Vishveshwara, S (1992) Molecular dynamics studies on nucleoside 2',3'-cyclic phosphates. In: Journal of Biomolecular Structure & Dynamics, 9 (6). pp. 1253-1268.

Sankararamakrishnan, R and Vishveshwara, S (1992) The structures of bacteriorhodopsin with different retinal-Schiff base orientations--computer modeling and energy minimization studies. In: Journal of Biomolecular Structure & Dynamics, 9 (6). pp. 1073-1095.

Balaji, PV and Saenger, W and Rao, VS (1992) Modes of binding of 2'-AMP to RNase T1. A computer modeling study. In: Journal of Biomolecular Structure & Dynamics, 9 (5). pp. 959-969.

Bhattacharyya, Dhananjay and Bansal, Manju (1992) Groove width and depth of B-DNA structures depend on local variation in slide. In: Journal of Biomolecular Structure & Dynamics, 10 (1). pp. 213-226.

Balaji, PV and Saenger, W and Rao, VSR (1991) Computer modelling studies on the mechanism of action of ribonuclease T1. In: Journal of Biomolecular Structure & Dynamics, 9 (2). pp. 215-231.

Tripathi, J and Brahmachari, SK (1991) Distribution of simple repetitive (TG/CA)n and (CT/AG)n sequences in human and rodent genomes. In: Journal of Biomolecular Structure & Dynamics, 9 (2). pp. 387-397.

Mohanty, D and Bansal, M (1991) DNA polymorphism and local variation in base-pair orientation: a theoretical rationale. In: Journal of Biomolecular Structure & Dynamics, 9 (1). pp. 127-142.

Bhattacharyya, D and Bansal, M (1990) Local variability and base sequence effects in DNA crystal structures. In: Journal of Biomolecular Structure & Dynamics, 8 (3). pp. 539-572.

Soman, J and Vijayan, M and Radhakrishnan, R and Rao, T (1989) X-Ray Studies On Crystalline Complexes Involving Amino-Acids And Peptides .20. Crystal-Structures Of Dl-Arginine Acetate Monohydrate And Dl-Lysine Acetate And A Comparison With The Corresponding L-Amino-Acid Complexes. In: Journal of Biomolecular Structure & Dynamics, 7 (2). pp. 269-277.

Ramesh, N and Brahmachari, SK (1989) Structural alteration from non-B to B-form could reflect DNase I hypersensitivity. In: Journal of Biomolecular Structure & Dynamics, 6 (5). pp. 899-906.

Bhattacharyya, D and Bansal, Manju (1989) A self-consistent formulation for analysis and generation of non-uniform DNA structure. In: Journal of Biomolecular Structure & Dynamics, 6 (4). pp. 635-653.

Ekambareswara, Rao and Ramesh, N and Choudhury, D and Brahmachari, SK and Sasisekharan, V (1989) Role of the environment in the interaction of nonintercalators with Z-DNA. In: Journal of Biomolecular Structure & Dynamics, 7 (2). pp. 335-345.

Sankara-Ramakrishnan, R and Vishveshwara, Saraswathi (1989) A hydrogen bonded chain in bactereorhodopsin by computer modeling approach. In: Journal of Biomolecular Structure & Dynamics, 7 (1). pp. 187-205.

Ramakrishnan, B and Viswamitra, MA (1988) Crystal and molecular structure of the ammonium salt of the dinucleoside monophosphate d(CpG). In: Journal of Biomolecular Structure & Dynamics, 6 (3). pp. 511-523.

Bhattacharya, D and Bansal, Manju (1988) A general procedure for generation of curved DNA molecules. In: Journal of Biomolecular Structure & Dynamics, 6 (1). pp. 93-104.

Chandrasekhar, I and Gaber, BP (1988) Stabilization of the bio-membrane by small molecules: interaction of trehalose with the phospholipid bilayer. In: Journal of Biomolecular Structure & Dynamics, 5 (6). 1163-&.

Gopalakrishnan, B and Bansal, M (1988) Theoretical studies on alpha-helix--DNA interactions. In: Journal of Biomolecular Structure & Dynamics, 5 (4). 859 -871.

Bhattacharyya, Dhananjoy and Bansal, Manju (1987) Energetics of left and right handed models of DNA. In: Journal of Biomolecular Structure & Dynamics, 4 (6). pp. 1027-1040.

Vinayaka, CR and Rao, VSR (1987) A computer modelling approach to study the mode of binding of L-lyxoflavin-5'-monophosphate to flavodoxin. In: Journal of Biomolecular Structure & Dynamics, 4 (6). pp. 1095-1103.