Bogdan Lesyng
Bogdan Lesyng
Professor, Faculty of Physics, University of Warsaw, Poland
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Generalized Born model: Analysis, refinement, and applications to proteins
M Wojciechowski, B Lesyng
The Journal of Physical Chemistry B 108 (47), 18368-18376, 2004
Quantum-classical molecular dynamics simulations of proton transfer processes in molecular complexes and in enzymes
P Bała, P Grochowski, B Lesyng, JA McCammon
The Journal of Physical Chemistry 100 (7), 2535-2545, 1996
A comparative study of time dependent quantum mechanical wave packet evolution methods
TN Truong, JJ Tanner, P Bala, JA McCammon, DJ Kouri, B Lesyng, ...
The Journal of chemical physics 96 (3), 2077-2084, 1992
Dipole moments of 2, 4-diketopyrimidines: Part II: Uracil, thymine and their derivatives
I Kulakowska, M Geller, B Lesyng, KL Wierzchowski
Biochimica et Biophysica Acta (BBA)-Nucleic Acids and Protein Synthesis 361 …, 1974
Ab initio study of proton transfer in [H3N− H− NH3]+ and [H3N− H− OH2]+
L Jaroszewski, B Lesyng, JJ Tanner, JA McCammon
Chemical physics letters 175 (4), 282-288, 1990
Efficacy of 2-halogen substituted d-glucose analogs in blocking glycolysis and killing “hypoxic tumor cells”
TJ Lampidis, M Kurtoglu, JC Maher, H Liu, A Krishan, V Sheft, ...
Cancer chemotherapy and pharmacology 58, 725-734, 2006
Cooperative effects in extended hydrogen bonded systems involving OH groups. Ab initio studies of the cyclic S4 water tetramer
JEH Koehler, W Saenger, B Lesyng
Journal of computational chemistry 8 (8), 1090-1098, 1987
Structural basis of oncogenic activation caused by point mutations in the kinase domain of the MET proto‐oncogene: Modeling studies
M Miller, K Ginalski, B Lesyng, N Nakaigawa, L Schmidt, B Zbar
Proteins: Structure, Function, and Bioinformatics 44 (1), 32-43, 2001
Applications of quantum-classical and quantum-stochastic molecular dynamics simulations for proton transfer processes
P Bala, B Lesyng, JA McCammon
Chemical physics 180 (2-3), 271-285, 1994
Class IV charge model for the self-consistent charge density-functional tight-binding method
JA Kalinowski, B Lesyng, JD Thompson, CJ Cramer, DG Truhlar
The Journal of Physical Chemistry A 108 (13), 2545-2549, 2004
Density functional based parametrization of a valence bond method and its applications in quantum‐classical molecular dynamics simulations of enzymatic reactions
P Grochowski, B Lesyng, P Bała, JA McCammon
International journal of quantum chemistry 60 (6), 1143-1164, 1996
Structure-based sequence alignment for the β-trefoil subdomain of the clostridial neurotoxin family provides residue level information about the putative ganglioside binding site
K Ginalski, C Venclovas, B Lesyng, K Fidelis
FEBS letters 482 (1-2), 119-124, 2000
Molecular and electrostatic properties of the N-methylated nucleic acid bases by density functional theory
G Bakalarski, P Grochowski, JS Kwiatkowski, B Lesyng, J Leszczyński
Chemical physics 204 (2-3), 301-311, 1996
Tautomerism of pyrimidine bases—uracil, cytosine, isocytosine: Theoretical study with complete optimization of geometry
R Czermiński, B Lesyng, A Pohorille
International journal of quantum chemistry 16 (3), 605-613, 1979
Barrier to rotation and conformation of the-NR2 group in cytosine and its derivatives. Part II. Experimental and theoretical dipole moments of methylated cytosines
I Kulakowska, M Geller, B Lesyng, K Bolewska, KL Wierzchowski
Biochimica et Biophysica Acta (BBA)-Nucleic Acids and Protein Synthesis 407 …, 1975
Surface markers of cancer stem-like cells of ovarian cancer and their clinical relevance
A Klemba, JK Purzycka-Olewiecka, G Wcisło, AM Czarnecka, S Lewicki, ...
Contemporary Oncology/Współczesna Onkologia 2018 (1), 48-55, 2018
Adding numbers with DNA
P Wasiewicz, JJ Mulawka, WR Rudnicki, B Lesyng
Smc 2000 conference proceedings. 2000 ieee international conference on …, 2000
Extended Hellmann-Feynman theorem for non-stationary states and its application in quantum-classical molecular dynamics simulations
P Bala, B Lesyng, JA McCammon
Chemical physics letters 219 (3-4), 259-266, 1994
Vibrations and hydrogen bonding in porphycene
S Gawinkowski, Ł Walewski, A Vdovin, A Slenczka, S Rols, MR Johnson, ...
Physical Chemistry Chemical Physics 14 (16), 5489-5503, 2012
Molecular modeling methods. Basic techniques and challenging problems
B Lesyng, JA McCammon
Pharmacology & therapeutics 60 (2), 149-167, 1993
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