Università degli Studi di Cagliari
Coumarin derivatives as promising xanthine oxidase inhibitors
2018-01-01 Fais, Antonella; Era, Benedetta; Asthana, Shailendra; Sogos, Valeria; Medda, Rosaria; Santana, Lourdes; Uriarte, Eugenio; João Matos, Maria; Delogu, Francesco; Kumar, Amit
Substitution impact of highly conserved arginine residue at position 75 in GJB1 gene in association with X-linked Charcot–Marie-tooth disease: A computational study
2018-01-01 Agrahari, Ashish Kumar; Kumar, Amit; Siva, R.; Zayed, Hatem; George Priya Doss, C.
Identification of new inhibitors against human Great wall kinase using in silico approaches
2018-01-01 Ammarah, Ummi; Kumar, Amit; Pal, Rajesh; Bal, Naresh C.; Misra, Gauri
Electronic and optical properties of chromophores from bacterial cellulose
2018-01-01 Kumar, Amit; Cardia, Roberto; Cappellini, Giancarlo
Butyrylcholinesterase Inhibitors: Structure-Activity Relationships of 2-Phenylbenzofuran derivatives.
2017-01-01 Fais, Antonella; Delogu, GIOVANNA LUCIA; Era, Benedetta; DI PETRILLO, Amalia; Kumar, Amit; Caria, Paola; Floris, Sonia; Pintus, Francesca
Dynamical footprint of cross-reactivity in a human autoimmune T-cell receptor
2017-01-01 Kumar, Amit; Delogu, Francesco
Electronic and optical properties of nanometer-sized chromophores in bacterial cellulose
2016-01-01 Kumar, A; Cappellini, Giancarlo; Cardia, Roberto
2-Phenylbenzofuran derivatives as butyrylcholinesterase inhibitors: Synthesis, biological activity and molecular modeling
2016-01-01 Delogu, GIOVANNA LUCIA; Matos M., J; Fanti, M; Era, B; Medda, Rosaria; Pieroni, E; Fais, Antonella; Kumar, A; Pintus, Francesca
Increased β-haemolytic group A streptococcal M6 serotype and streptodornase B-specific cellular immune responses in Swedish narcolepsy cases
2015-01-01 Ambati, A.; Poiret, T.; Svahn, B. -. M.; Valentini, D.; Khademi, M.; Kockum, I.; Lima, I.; Arnheim-dahlstrã¶m, L.; Lamb, F.; Fink, K.; Meng, Q.; Kumar, A.; Rane, L.; Olsson, T.; Maeurer, M.
The C-terminal calcium-sensitive disordered motifs regulate isoform-specific polymerization characteristics of calsequestrin
2015-01-01 Bal, Naresh C.; Jena, Nivedita; Chakravarty, Harapriya; Kumar, Amit; Chi, Mei; Balaraju, Tuniki; Rawale, Sharad V.; Rawale, Jayashree S.; Sharon, Ashoke; Periasamy, Muthu
Dynamical insights into the differential characteristics of Mycobacterium avium subsp. paratuberculosis peptide binding to HLA-DRB1 proteins associated with multiple sclerosis
2015-01-01 Kumar, A; Sechi, L. A.; Caboni, Pierluigi; Marrosu, MARIA GIOVANNA; Atzori, Luigi; Pieroni, E.
Antigenic peptide molecular recognition by the DRB1–DQB1 haplotype modulates multiple sclerosis susceptibility
2014-01-01 Kumar, Amit; Melis, P; Genna, V; Cocco, Eleonora; Marrosu, MARIA GIOVANNA; Pieroni, E.
Metabolomics analysis and modeling suggest a lysophosphocholines-PAF Receptor interaction in fibromyalgia
2014-01-01 Caboni, Pierluigi; Liori, B; Kumar, A; Santoru, Ml; Asthana, S; Pieroni, E; Fais, Antonella; Era, Benedetta; Cacace, Enrico; Ruggiero, Valeria; Atzori, Luigi
Identification of calcium binding sites on calsequestrin 1 and their implications for polymerization
2013-01-01 Kumar, Amit; Chakravarty, H; Bal, Nc; Balaraju, T; Jena, N; Misra, G; Bal, C; Pieroni, E; Periasamy, M; Sharon, A.
Structural and dynamical insights on HLA-DR2 complexes that confer susceptibility to multiple sclerosis in Sardinia: a molecular dynamics simulation study
2013-01-01 Kumar, Amit; Cocco, Eleonora; Atzori, Luigi; Marrosu, MARIA GIOVANNA; Pieroni, E.
Interaction between HLA-DRB1-DQB1 haplotypes in Sardinian multiple sclerosis population
2013-01-01 Cocco, Eleonora; Murru, Raffaele; Costa, G; Kumar, Amit; Pieroni, E; Melis, C; Barberini, Luigi; Sardu, Claudia; Lorefice, Lorena; Fenu, Giuseppe; Frau, Jessica; Coghe, Giancarlo; Carboni, Nicola; Marrosu, MARIA GIOVANNA
Skeletal Calsequestrin-Calcium Interaction: Role of Acidic C-Terminus
2013-01-01 N. C., Bal; Kumar, Amit; H., Chakravarty; T., Balaraju; C., Bal; N., Jena; A., Sharon; M., Periasamy
Combination of classical and molecular modeling approaches to investigate the effect of antipsychotic drugs on cell proliferation kinetics
2013-01-01 Pieroni, E; Kumar, Amit; Pisu, M; Genna, V; Concas, A; Cao, Giacomo
Structural and dynamical insights on HLA-DRB1: peptide complexes which confer resistance and susceptibility to multiple sclerosis in sardinia: a molecular dynamics simulation study
2012-01-01 Kumar, Amit
Aromatic interaction profile to understand the molecular basis of raltegravir resistance
2012-01-01 Tuniki, B; Kumar, Amit; Bal, C; Chattopadhyay, D; Jena, N; Bal, Nc; Sharon, A.
Molecular Basis of Enrofloxacin Translocation through OmpF, an Outer Membrane Channel of Escherichia coli - When Binding Does Not Imply Translocation
2010-01-01 Kozhinjampara R., Mahendran; Eric, Hajjar; Tivadar, Mach; Marcos, Lovelle; Kumar, Amit; Isabel, Sousa; Enrico, Spiga; Helge, Weingart; Paula, Gameiro; Mathias, Winterhalter; Ceccarelli, Matteo
Screening for antibiotics with enhanced permeation properties: proof of concept using molecular simulations
2010-01-01 Hajjar, E; Bessonov, A; Molitor, A; Kumar, Amit; Mahendran, K; Winterhalter, M; Pages, Jm; Ruggerone, Paolo; Ceccarelli, Matteo
Using Molecular Simulations to Screen for Antibiotics with Enhanced Permeation Properties through Bacterial Pores
2010-01-01 Eric, Hajjar; Kumar, Amit; Mahendran, Kozhinjampara; Andrey, Bessonov; Mathias, Winterhalter; Ruggerone, Paolo; Ceccarelli, Matteo
Bridging time and length scales: from macroscopic flux to molecular mechanism of antibiotics diffusion through porins
2010-01-01 Hajjar, E; Mahendran, K; Kumar, Amit; Bessonov, A; Petrescu, M; Weingart, H; Ruggerone, Paolo; Winterhalter, M; Ceccarelli, Matteo
Towards screening for antibiotics with enhanced permeation properties through bacterial porins
2010-01-01 Hajjar, E; Bessonov, A; Molitor, A; Kumar, A; MAHENDRAN K., R; Winterhalter, M; PAGÈS J., M; Ruggerone, Paolo; Ceccarelli, Matteo
Molecular basis of enrofloxacin translocation through a bacterial porin – When binding does not imply translocation
2010-01-01 MAHENDRAN K., R; Hajjar, E; Mach, T; Lovelle, M; Sousa, I; Kumar, A; Spiga, E; Weingart, H; Gameiro, P; Winterhalter, M; Ceccarelli, Matteo
Structural and dynamical properties of the porins OmpF and OmpC: insights from molecular simulations
2010-01-01 Kumar, Amit; Hajjar, E; Ruggerone, Paolo; Ceccarelli, Matteo
Molecular simulations reveal the mechanism and the determinants for ampicillin translocation through OmpF
2010-01-01 Kumar, Amit; Hajjar, E; Ruggerone, Paolo; Ceccarelli, Matteo
Investigating reaction pathways in rare events simulations of antibiotics diffusion through protein channels
2010-01-01 Hajjar, E; Kumar, Amit; Ruggerone, Paolo; Ceccarelli, Matteo
The Porin passport control-Conductance measurements and biological relevance
2009-01-01 Mahendran R., Kozhinjampara; Tivadar, Mach; Andrey N., Bessonov; Helge, Weingart; Chloe E., James; Jean Marie, Pages; Eric, Hajjar; Kumar, Amit; Ceccarelli, Matteo; Mathias, Winterhalter
Structural Determinants Of Antibiotic And betalactamase Diffusion Through Bacterial Porins
2009-01-01 Kumar, Amit; Eric, Hajjar; Ruggerone, Paolo; Ceccarelli, Matteo
Drug design: Insights from atomistic simulations
2009-01-01 Collu, F.; Spiga, E.; Kumar, Amit; Hajjar, E.; Vargiu, ATTILIO VITTORIO; Ceccarelli, Matteo; Ruggerone, Paolo
Structural determinants of antibiotic and β-lactamase diffusion through bacterial porins
2009-01-01 Kumar, A; Hajjar, E; Ruggerone, Paolo; Ceccarelli, Matteo
The Biophysics Of Antibiotics Translocation Through OmpF Revealed By Computer Simulations
2009-01-01 Hajjar, E; Kumar, Amit; Spiga, E; Pages J., M; Mahendran, K; Mach, T; Bessonov, A; Winterhalter, M; Ruggerone, Paolo; Ceccarelli, Matteo
Structural determinants of antibiotic translocations in OMPF
2008-01-01 Hajjar, E; Kumar, Amit; Collu, F; Spiga, E; Ruggerone, Paolo; Ceccarelli, Matteo
Molecular simulations reveal the molecular basis of diffusion through porins; and allow designing potent antibiotics
2008-01-01 Kumar, Amit; Hajjar, E; Spiga, E; Collu, F; Ruggerone, Paolo; Ceccarelli, Matteo
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