I. Massova

发表

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models.

P. Kollman, D. Case, Y. Duan, 2000, Accounts of chemical research.

Computational Alanine Scanning To Probe Protein−Protein Interactions: A Novel Approach To Evaluate Binding Free Energies

P. Kollman, I. Massova, 1999 .

Combined molecular mechanical and continuum solvent approach (MM-PBSA/GBSA) to predict ligand binding

P. Kollman, I. Massova, 2000 .

Characterization of the Monomeric and Dimeric Forms of Latent and Active Matrix Metalloproteinase-9

L. Kotra, I. Massova, M. Bernardo, 2000, The Journal of Biological Chemistry.

Kinship and Diversification of Bacterial Penicillin-Binding Proteins and β-Lactamases

I. Massova, S. Mobashery, 1998, Antimicrobial Agents and Chemotherapy.

6-(Hydroxyalkyl)penicillanates as Probes for Mechanisms of β-Lactamases

I. Massova, L. Mourey, J. Samama, 2000 .

Evidence for Structural Elasticity of Class A β-Lactamases in the Course of Catalytic Turnover of the Novel Cephalosporin Cefepime

I. Massova, S. Mobashery, S. Vakulenko, 1996 .

Nuances of Mechanisms and Their Implications for Evolution of the Versatile β-Lactamase Activity: From Biosynthetic Enzymes to Drug Resistance Factors

I. Massova, S. Mobashery, K. Miyashita, 1997 .

Structural and mechanistic aspects of evolution of beta-lactamases and penicillin-binding proteins.

I. Massova, S. Mobashery, 1999, Current pharmaceutical design.

Quantification of the extent of attenuation of the rate of turnover chemistry of the TEM-1 β-lactamase by the α-1R-hydroxyethyl group in substrates

I. Massova, S. Mobashery, K. Miyashita, 1996 .

MOLECULAR BASES FOR INTERACTIONS BETWEEN BETA -LACTAM ANTIBIOTICS AND BETA-LACTAMASES

I. Massova, S. Mobashery, 1997 .

Structural basis of steroid compounds interaction with "digitalis"-receptor sites of Na,K-dependent ATPase.

I. Massova, A. Ovchinnikov, I. Shamovsky, 1989, Journal of steroid biochemistry.

Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed to the Tem-1 Beta-Lactamase from Escherichia Coli: Evidence on the Mechanism of Action of a Novel Inhibitor Designed by a Computer-Aided Process

Laurent Maveyraud, Irina Massova, I. Massova, 1996 .

Design, Synthesis, and Evaluation of a Potent Mechanism-Based Inhibitor for the TEM .beta.-Lactamase with Implications for the Enzyme Mechanism

I. Massova, S. Mobashery, K. Miyashita, 1995 .

Effects on Substrate Profile by Mutational Substitutions at Positions 164 and 179 of the Class A TEMpUC19 β-Lactamase from Escherichia coli*

I. Massova, S. Mobashery, M. Tóth, 1999, The Journal of Biological Chemistry.

pKa, MM, and QM studies of mechanisms of β‐lactamases and penicillin‐binding proteins: Acylation step

Peter A. Kollman, Irina Massova, P. Kollman, 2002, J. Comput. Chem..

1H-NMR analysis of copper-aminoglycoside complexes in solution and its implication for regioselective modification of multifunctional aminoglycoside antibiotics

I. Massova, S. Mobashery, I. Grapsas, 1998 .

Matrix metalloproteinases: structures, evolution, and diversification

L. Kotra, I. Massova, R. Fridman, 1998, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.

Molecular dynamics and free-energy calculations applied to affinity maturation in antibody 48G7.

L Wang, Y Duan, P A Kollman, 1999, Proceedings of the National Academy of Sciences of the United States of America.

Comparative molecular field analysis of the antitumor activity of 9H-thioxanthen-9-one derivatives against pancreatic ductal carcinoma 03.

Irina Massova, I. Massova, T. Wiese, 1994, Journal of medicinal chemistry.

Insights into the three-dimensional structure of crotalase: Implications for biological activity and substrate specificity

I. Massova, B. Edwards, S. Mobashery, 1997 .

Kinship and Diversification of Bacterial Penicillin-Binding Proteins and β-Lactamases

I. Massova, S. Mobashery, 1998, Antimicrobial Agents and Chemotherapy.

Computational alanine scanning of the 1:1 human growth hormone–receptor complex

Peter A. Kollman, Irina Massova, Shuanghong Huo, 2002, J. Comput. Chem..

Interactions of Intercellular Adhesion Molecule-1 with Fibrinogen

J. Uitto, I. Massova, R. Fridman, 2002 .

Templates for design of inhibitors for serine proteases: application of the program DOCK to the discovery of novel inhibitors for thrombin.

I. Massova, B. Edwards, S. Mobashery, 1998, Bioorganic & medicinal chemistry letters.

QM and QM–FE simulations on reactions of relevance to enzyme catalysis: trypsin, catechol O-methyltransferase, β-lactamase and pseudouridine synthase

P. Kollman, B. Kuhn, I. Massova, 2000 .

Potent mechanism-based inhibition of the TEM-1 .beta.-lactamase by novel N-sulfonyloxy .beta.-lactams

I. Massova, M. O’Brien, S. Mobashery, 1995 .

Comparative molecular field analysis of in vitro growth inhibition of L1210 and HCT-8 cells by some pyrazoloacridines.

A. Wozniak, I. Massova, W. Leopold, 1993, Journal of medicinal chemistry.

Crystallographic and computational insight on the mechanism of zinc-ion-dependent inactivation of carboxypeptidase a by 2-benzyl-3-iodopropanoate.

Irina Massova, I. Massova, S. Mobashery, 1996 .

Structural Insights into the Catalytic Domains of Human Matrix Metalloprotease-2 and Human Matrix Metalloprotease-9: Implications for Substrate Specificities

I. Massova, R. Fridman, S. Mobashery, 1997 .

Structural insight into the binding motifs for the calcium ion and the non-catalytic zinc in matrix metalloproteases.

L. Kotra, I. Massova, S. Mobashery, 1998, Bioorganic & medicinal chemistry letters.

No Job Name

P. Cieplak, T. Cheatham, I. Massova, 2022 .