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Bhattacharyya, Moitrayee ; Vishveshwara, Saraswathi (2011) Probing the allosteric mechanism in pyrrolysyl-tRNA synthetase using energy-weighted network formalism Biochemistry, 50 (28). pp. 6225-6236. ISSN 0006-2960

Jha, Anupam Nath ; Vishveshwara, Saraswathi ; Banavar, Jayanth R. (2011) Amino acid interaction preferences in helical membrane proteins Protein Engineering, Design and Selection, 24 (8). pp. 579-588. ISSN 1741-0126

Bhattacharyya, Moitrayee ; Vishveshwara, Saraswathi (2011) Quantum clustering and network analysis of MD simulation trajectories to probe the conformational ensembles of protein-ligand interactions Molecular BioSystems (7). pp. 2320-2330. ISSN 1742-206X

Sukhwal, A. ; Bhattacharyya, M. ; Vishveshwara, S. (2011) Network approach for capturing ligand-induced subtle global changes in protein structures Acta Crystallographica Section D, D67 . pp. 429-439. ISSN 0907-4449

Vijayabaskar, M. S. ; Vishveshwara , Saraswathi (2010) Interaction energy based protein structure networks Biophysical Journal, 99 (11). pp. 3704-3715. ISSN 0006-3495

Jha, Anupam Nath ; Vishveshwara, Saraswathi ; Banavar, Jayanth R. (2010) Amino acid interaction preferences in proteins Protein Science, 19 (3). pp. 603-616. ISSN 0961-8368

Bhattacharyya, Moitrayee ; Ghosh, Amit ; Hansia, Priti ; Vishveshwara, Saraswathi (2010) Allostery and conformational free energy changes in human tryptophanyl-tRNA synthetase from essential dynamics and structure networks Proteins: Structure, Function, and Genetics, 78 (3). pp. 506-517. ISSN 0887-3585

Vijayabaskar, Mahalingam S. ; Vishveshwara, Saraswathi (2010) Construction of energy based Protein Structure Networks: application in the comparative analysis of Thermophiles and Mesophiles Biophysical Journal, 98 (3). 387a-387a. ISSN 0006-3495

Pieniazek, Susan N. ; Bhattacharyya, Moitrayee ; Vishveshwara, Saraswathi ; Hingorani, Manju ; Beveridge, David L. (2010) Recognition and signaling in DNA mismatch repair: interdomain communication in T. Aquaticus Muts proteins Biophysical Journal, 98 (3). 568a-569a. ISSN 0006-3495

Jha, Anupam Nath ; Ananthasuresh, G. K. ; Vishveshwara , Saraswathi (2010) A search for energy minimized sequences of proteins Biophysical Journal, 98 (3). 575a-575a. ISSN 0006-3495

Vijayabaskar, M. S. ; Vishveshwara, Saraswathi (2010) Comparative analysis of thermophilic and mesophilic proteins using Protein Energy Networks BMC Bioinformatics, 11 (1). S49_1-S49_7. ISSN 1471-2105

Bhattacharyya, Moitrayee ; Vishveshwara, Saraswathi (2010) Elucidation of the conformational free energy landscape in H.pylori LuxS and its implications to catalysis BMC Structural Biology, 10 (1). 27_1-27_15. ISSN 1472-6807

Brinda, K. V. ; Vishveshwara, Saraswathi ; Vishveshwara, Smitha (2010) Random network behaviour of protein structures Molecular BioSystems, 6 (2). pp. 391-398. ISSN 1742-206X

Deb, Dhruba ; Vishveshwara, Saraswathi ; Vishveshwara, Smitha (2009) Understanding protein structure from a percolation perspective Biophysical Journal, 97 (6). pp. 1787-1794. ISSN 0006-3495

Jha, Anupam Nath ; Ananthasuresh, G. K. ; Vishveshwara, Saraswathi (2009) A search for energy minimized sequences of proteins PLoS ONE, 4 (8). e6684-e6684. ISSN 1932-6203

Vishveshwara, Saraswathi ; Ghosh, Amit ; Hansia, Priti (2009) Intra and inter-molecular communications through protein structure network Current Protein and Peptide Science, 10 (2). pp. 146-160. ISSN 1389-2037

Gupta, Garima ; Vishveshwara, Saraswathi ; Surolia, Avadhesha (2009) Stability of dimeric interface in banana lectin: insight from molecular dynamics simulations IUBMB Life, 61 (3). pp. 252-260. ISSN 1521-6543

Bhattacharyya, Moitrayee ; Vishveshwara, Saraswathi (2009) Functional correlation of bacterial LuxS with their quaternary associations: interface analysis of the structure networks BMC Structural Biology, 9 (1). 8_1-8_16. ISSN 1472-6807

Hansia, Priti ; Ghosh, Amit ; Vishveshwara, Saraswathi (2009) Ligand dependent intra and inter subunit communication in human tryptophanyl tRNA synthetase as deduced from the dynamics of structure networks Molecular BioSystems, 5 (12). pp. 1860-1872. ISSN 1742-206X

Ghosh, Amit ; Vishveshwara , Saraswathi (2008) Variations in clique and community patterns in protein structures during allosteric communication: investigation of dynamically equilibrated structures of methionyl tRNA synthetase complexes Journal of the American Chemical Society, 47 (44). pp. 11398-11407. ISSN 0002-7863

Chowdhury, Rakhi Pait ; Vijayabaskar, M. S. ; Vishveshwara, Saraswathi ; Chatterji, Dipankar (2008) Molecular mechanism of in vitro oligomerization of Dps from Mycobacterium smegmatis: mutations of the residues identified by "interface cluster" analysis Biochemistry, 47 (42). pp. 11110-11117. ISSN 0006-2960

Sathyapriya, R. ; Vijayabaskar, M. S. ; Vishveshwara, Saraswathi (2008) Insights into protein-DNA interactions through structure network analysis PLoS Computational Biology, 4 (9). e1000170-e1000170. ISSN 1553-734X

Hansia, Priti ; Dev, Sagarika ; Surolia, Avadhesha ; Vishveshwara, Saraswathi (2007) Insight into the early stages of thermal unfolding of peanut agglutinin by molecular dynamics simulations Proteins: Structure, Function, and Genetics, 69 (1). pp. 32-42. ISSN 0887-3585

Jha, Anupam Nath ; Ananthasuresh, G. K. ; Vishveshwara, Saraswathi (2007) Protein sequence design based on the topology of the native state structure Journal of Theoretical Biology, 248 (1). pp. 81-90. ISSN 0022-5193

Sathyapriya, R. ; Vishveshwara, Saraswathi (2007) Structure networks of E. coli glutaminyl-tRNA synthetase: effects of ligand binding Proteins: Structure, Function, and Genetics, 68 (2). pp. 541-550. ISSN 0887-3585

Ghosh, Amit ; Brinda, K. V. ; Vishveshwara, Saraswathi (2007) Dynamics of lysozyme structure network: probing the process of unfolding Biophysical Journal, 92 (7). pp. 2523-2535. ISSN 0006-3495

Brinda, K. V. ; Vishveshwara, Saraswathi (2006) Characterization of the backbone geometry of protein native state structures Proteins: Structure, Function, and Genetics, 64 (4). pp. 992-1000. ISSN 0887-3585

Hansia, Priti ; Vishveshwara, Saraswathi ; Pal, Samir Kumar (2006) Tryptophan-water interaction in Monellin: hydration patterns from molecular dynamics simulation Chemical Physics Letters, 420 (4-6). pp. 512-517. ISSN 0009-2614

Sathyapriya, R. ; Brinda, K. V. ; Vishveshwara, Saraswathi (2006) Correlation of the side-chain hubs with the functional residues in DNA binding protein structures Journal of Chemical Information and Modeling, 46 (1). pp. 123-129. ISSN 1549-9596

Hansia, Priti ; Guruprasad, Nandini ; Vishveshwara, Saraswathi (2006) Ab initio studies on the tri- and diphosphate fragments of adenosine triphosphate Biophysical Chemistry, 119 (2). pp. 127-136. ISSN 0301-4622

Brinda, K. V. ; Vishveshwara, Saraswathi (2005) A network representation of protein structures: implications for protein stability Biophysical Journal, 89 (6). pp. 4159-4170. ISSN 0006-3495

Krishnadev, O. ; Brinda, K. V. ; Vishveshwara, Saraswathi (2005) A graph spectral analysis of the structural similarity network of protein chains Proteins: Structure, Function, and Genetics, 61 (1). pp. 152-163. ISSN 0887-3585

Sistla, Ramesh K. ; Brinda, K. V. ; Vishveshwara, Saraswathi (2005) Identification of domains and domain interface residues in multidomain proteins from graph spectral method Proteins: Structure, Function, and Genetics, 59 (3). pp. 616-626. ISSN 0887-3585

Rajagopal, Sathyapriya ; Vishveshwara, Saraswathi (2005) Short hydrogen bonds in proteins FEBS Journal, 272 (8). pp. 1819-1832. ISSN 1742-464X

Koh, Sung K. ; Ananthasuresh, G. K. ; Vishveshwara, Saraswathi (2005) A deterministic optimization approach to protein sequence design using continuous models The International Journal of Robotics Research, 24 (2-3). pp. 109-130. ISSN 0278-3649

Brinda, K. V. ; Surolia, Avadhesha ; Vishveshwara, Sarawathi (2005) Insights into the quaternary association of proteins through structure graphs: a case study of lectins Biochemical Journal, 391 . pp. 1-15. ISSN 0006-2936

Brinda, K. V. ; Vishveshwara, Saraswathi (2005) Oligomeric protein structure networks: insights into protein-protein interactions BMC Bioinformatics, 6 . 296_1-296_15. ISSN 1471-2105

Brinda, K. V. ; Mitra, Nivedita ; Surolia, Avadhesha ; Vishveshwara, Saraswathi (2004) Determinants of quaternary association in legume lectins Protein Science, 13 (7). pp. 1735-1749. ISSN 0961-8368

Chakrabarti, Kalyan S. ; Sanjeev, B. S. ; Vishveshwara, Saraswathi (2004) Stability and dynamics of domain-swapped bovine-seminal ribonuclease Chemistry and Biodiversity, 1 (5). pp. 802-818. ISSN 1612-1872

Sathyapriya, R. ; Vishveshwara, Saraswathi (2004) Interaction of DNA with clusters of amino acids in proteins Nucleic Acids Research, 32 (14). pp. 4109-4118. ISSN 0305-1048

Brinda, K. V. ; Kannan, N. ; Vishveshwara, S. (2002) Analysis of homodimeric protein interfaces by graph-spectral methods Protein Engineering, 15 (4). pp. 265-277. ISSN 0269-2139

Kannan, Natarajan ; Chander, Preethi ; Ghosh, Pallavi ; Vishveshwara, Saraswathi ; Chatterji, Dipankar (2001) Stabilizing interactions in the dimer interface of α-subunit in Escherichia coli RNA polymerase: a graph spectral and point mutation study Protein Science, 10 (1). pp. 46-54. ISSN 0961-8368

Kannan, N. ; Vishveshwara, S. (2000) Aromatic clusters: a determinant of thermal stability of thermophilic proteins Protein Engineering, 13 (11). pp. 753-761. ISSN 0269-2139

Madhusudhan, M. S. ; Vishveshwara, Saraswathi (1999) Comparison of the dynamics of bovine and human angiogenin: a molecular dynamics study Biopolymers, 49 (2). pp. 131-144. ISSN 0006-3525

Vishveshwara, Saraswathi ; Jacob, Rebecca ; Nadig, Gautham ; Maizel, Jacob V. (1998) The role of lysine-41 in RNase A catalysis: a quantum chemical study on the active site-ligand complex Journal of Molecular Structure, 471 (1-3). pp. 1-11. ISSN 0022-2860

Panjikar, S. K. ; Biswas, M. ; Vishveshwara, S. (1997) Determinants of backbone packing in globular proteins: an analysis of spatial neighbours Acta Crystallographica - Section B: Structural Crystallography & Crystal Chemistry, 53 (6). pp. 627-637. ISSN 0567-7408

Nadig, Gautham ; Vishveshwara, Saraswathi (1997) Effects of substrate binding on the dynamics of RNase A: Molecular dynamics simulations of UpA bound and native RNase A Biopolymers, 42 (5). pp. 505-520. ISSN 0006-3525

Nadig, Gautham ; Ratnaparkhi, Girish S. ; Varadarajan, Raghavan ; Vishveshwara, Saraswathi (1996) Dynamics of ribonuclease A and ribonuclease S: computational and experimental studies Protein Science, 5 (10). pp. 2104-2114. ISSN 0961-8368

Iyer, Lakshmanan K. ; Vishveshwara, Saraswathi (1996) The stability of transmembrane helices: a molecular dynamics study on the isolated helices of bacteriorhodopsin Biopolymers, 38 (3). pp. 401-422. ISSN 0006-3525

Iyer, Lakshmanan K. ; Vishveshwara, Saraswathi (1996) Threonine mutations in proline helix II of bacteriorhodopsin: a molecular dynamics study Journal of Molecular Structure (Theochem), 361 (1-3). pp. 269-281. ISSN 0166-1280

Shobana, S. ; Vishveshwara, Saraswathi (1996) Conformational study of valinomycin: a molecular dynamics approach Biophysical Chemistry, 57 (2-3). pp. 163-175. ISSN 0301-4622

Cieplak, Marek ; Vishveshwara, Saraswathi ; Banavar, Jayanth R. (1996) Cell dynamics of model proteins Physical review letters, 77 (17). pp. 3681-3684. ISSN 0031-9007

Seshadri, K. ; Vishveshwara, S. (1995) Interaction of substrate uridyl 3',5'-adenosine with ribonuclease A: a molecular dynamics study Biophysical Journal, 69 (6). pp. 2185-2194. ISSN 0006-3495

Iyer, Lakshmanan K. ; Vishveshwara, Saraswathi (1995) A model for transmembrane helix with a cis-Proline in the middle FEBS Letters, 374 (1). pp. 21-24. ISSN 0014-5793

Ma, Wen-Jong ; Iyer, Lakshmanan K. ; Vishveshwara, Saraswathi ; Koplik, Joel ; Banavar , Jayanth R. (1995) Molecular-dynamics studies of systems of confined dumbbell molecules Physical Review Letters, 51 (1). pp. 441-453. ISSN 0031-9007

Seshadri, K. ; Vishveshwara, Saraswathi ; Jain, Mahendra K. (1994) Binding of active site directed ligands to phospholipase A2: implications on the molecular constraints and catalytic mechanism Journal of Chemical Sciences, 106 (5). pp. 1177-1189. ISSN 0377-8444

Shobana, S. ; Nadig, Gautham ; Vishveshwara, Saraswathi (1994) Effect of the valine-threonine constraint on the dynamics of the proline helix- A molecular dynamics study Journal of Chemical Sciences, 106 (2). pp. 579-589. ISSN 0377-8444

Vishveshwara, Shobana S. ; Vishveshwara, Saraswathi (1993) Effect of constraints by threonine on proline containing α αa-helix- a molecular dynamics approach Biophysical Chemistry, 46 (1). pp. 77-89. ISSN 0301-4622

Sankararamakrishnan, R. ; Vishveshwara, Saraswathi (1992) Geometry of proline-containing α-helices in proteins International Journal of Peptide and Protein Research, 39 (4). pp. 356-363. ISSN 0367-8377

Sankararamakrishnan, R. ; Sreerama, N. ; Vishveshwara, Saraswathi (1991) Characterization of proline-containing right-handed α-helix by molecular dynamics studies Biophysical Chemistry, 40 (1). pp. 97-108. ISSN 0301-4622

Sreerama, N. ; Vishveshwara, Saraswathi (1989) Ab initio studies on proton transfer involving Schiff base and related nitrogen compounds Journal of Molecular Structure, 212 . pp. 53-60. ISSN 0022-2860

Sreerama, N. ; Vishveshwara , Saraswathi (1989) An ab-initio study of the proton affinity of conjugated schiff-base and related nitrogen compounds: an analysis of the triggering site of bacteriorhodopsin Journal of Molecular Structure, 194 . pp. 61-72. ISSN 0022-2860

Sreerama, N. ; Vishveshwara, Saraswathi (1987) Molecular mechanism of facilitated transport by carrier ionophores: a study of energetics Journal of Biosciences, 12 (3). pp. 175-189. ISSN 0250-5991

Dinesha, K. V. ; Iyer, Suman B. ; Vishveshwara, Saraswathi (1986) Energy expressions for atomic configurations in the L-S coupling scheme International Journal of Quantum Chemistry, 30 (6). pp. 783-790. ISSN 0020-7608

Sreerama, N. ; Vishveshwara, Saraswathi (1985) An ab initio study of (C---H...X)⁺ hydrogen bonds including biological systems Journal of Molecular Structure (Theochem), 133 . pp. 139-146. ISSN 0166-1280

Kaliannan, P. ; Vishveshwara, S. ; Rao, V. S. R. (1984) Ab initio SCF-MO study on difluoromethanediol and difluorodimethoxymethane Journal of Molecular Structure (Theochem), 108 (3-4). pp. 281-291. ISSN 0166-1280

Kaliannan, P. ; Vishveshwara, Saraswathi ; Rao, V. S. R. (1983) Ab initio SCF-MO study of the molecular structures of aminomethanol, aminesulfonic acid and N-methyl-sulfamate Journal of Molecular Structure (Theochem), 105 (3-4). pp. 359-374. ISSN 0166-1280

Kaliannan, P. ; Vishveshwara, Saraswathi ; Rao, V. S. R. (1983) Theoretical investigation of the structures of H₂SO₄, (CH₃O)₂SO₂ and CH₃OSO₃ Journal of Molecular Structure (Theochem), 92 (1-2). pp. 7-17. ISSN 0166-1280

Vishveshwara, Saraswathi ; Rao, V. S. R. (1983) An ab initio study of the β-lactam structure Journal of Molecular Structure, 92 . pp. 19-29. ISSN 0022-2860

Vishveshwara, Saraswathi ; Rao, V. S. R. (1982) Anomeric effect in sulfur-containing systems: an Ab-initio study Carbohydrate Research, 104 (1). pp. 21-32. ISSN 0008-6215

Vishveshwara, Saraswathi (1978) Ab-initio molecular orbital studies on C-H...X hydrogen bonded systems Chemical Physics Letters, 59 (1). pp. 26-29. ISSN 0009-2614

Vishveshwara , Saraswathi (1978) Bond length distortions associated with torsion potentials; ab-initio studies on methanediol Chemical Physics Letters, 59 (1). pp. 30-32. ISSN 0009-2614

Vishveshwara, Saraswathi ; Pople, John A. (1977) Molecular orbital theory of the electronic structures of organic compounds. 32. Conformations of glycine and related systems Journal of the American Chemical Society, 99 (8). pp. 2422-2426. ISSN 0002-7863