Flexible ligand docking to multiple receptor conformations: a practical alternative von Totrov, Maxim, Abagyan, Ruben

Volltext

Estimated secondary structure propensities within V1/V2 region of HIV gp120 are an important global antibody neutralization sensitivity determinant von Totrov, Maxim

Volltext

Atomic Property Fields: Generalized 3D Pharmacophoric Potential for Automated Ligand Superposition, Pharmacophore Elucidation and 3D QSAR von Totrov, Maxim

Volltext

Ligand binding site superposition and comparison based on Atomic Property Fields: identification of distant homologues, convergent evolution and PDB-wide clustering of binding site... von Totrov, Maxim

Volltext

Four-Dimensional Docking: A Fast and Accurate Account of Discrete Receptor Flexibility in Ligand Docking von Bottegoni, Giovanni, Kufareva, Irina, Totrov, Maxim, Abagyan, Ruben

Volltext

QPX7728, An Ultra-Broad-Spectrum B-Lactamase Inhibitor for Intravenous and Oral Therapy: Overview of Biochemical and Microbiological Characteristics von Lomovskaya, Olga, Tsivkovski, Ruslan, Sun, Dongxu, Reddy, Raja, Totrov, Maxim, Hecker, Scott, Griffith, David, Loutit, Jeffery, Dudley, Michael

Volltext

High-throughput docking for lead generation von Abagyan, Ruben, Totrov, Maxim

Volltext

Structural genomics for drug design against the pathogen Coxiella burnetii von Franklin, Matthew C., Cheung, Jonah, Rudolph, Michael J., Burshteyn, Fiana, Cassidy, Michael, Gary, Ebony, Hillerich, Brandan, Yao, Zhong-Ke, Carlier, Paul R., Totrov, Maxim, Love, James D.

Volltext

Waltzing transporters and 'the dance macabre' between humans and bacteria von Lomovskaya, Olga, Zgurskaya, Helen I, Totrov, Maxim, Watkins, William J

Volltext

Development of a new physics-based internal coordinate mechanics force field and its application to protein loop modeling von Arnautova, Yelena A., Abagyan, Ruben A., Totrov, Maxim

Volltext

PIER: Protein interface recognition for structural proteomics von Kufareva, Irina, Budagyan, Levon, Raush, Eugene, Totrov, Maxim, Abagyan, Ruben

Volltext

Difluoromethyl ketones: Potent inhibitors of wild type and carbamate-insensitive G119S mutant Anopheles gambiae acetylcholinesterase von Camerino, Eugene, Wong, Dawn M., Tong, Fan, Körber, Florian, Gross, Aaron D., Islam, Rafique, Viayna, Elisabet, Mutunga, James M., Li, Jianyong, Totrov, Maxim M., Bloomquist, Jeffrey R., Carlier, Paul R.

Volltext

A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE) von Bottegoni, Giovanni, Kufareva, Irina, Totrov, Maxim, Abagyan, Ruben

Volltext

Vaccination with immune complexes modulates the elicitation of functional antibodies against HIV-1 von Hioe, Catarina E, Liu, Xiaomei, Banin, Andrew N, Heindel, Daniel W, Klingler, Jéromine, Rao, Priyanka G, Luo, Christina C, Jiang, Xunqing, Pandey, Shilpi, Ordonez, Tracy, Barnette, Philip, Totrov, Maxim, Zhu, Jiang, Nádas, Arthur, Zolla-Pazner, Susan, Upadhyay, Chitra, Shen, Xiaoying, Kong, Xiang-Peng, Hessell, Ann J

Volltext

Biochemical Characterization of QPX7728, a New Ultrabroad-Spectrum Beta-Lactamase Inhibitor of Serine and Metallo-Beta-Lactamases von Tsivkovski, Ruslan, Totrov, Maxim, Lomovskaya, Olga

Volltext

Functional Antibody Response Against V1V2 and V3 of HIV gp120 in the VAX003 and VAX004 Vaccine Trials von Balasubramanian, Preetha, Williams, Constance, Shapiro, Mariya B., Sinangil, Faruk, Higgins, Keith, Nádas, Arthur, Totrov, Maxim, Kong, Xiang-Peng, Fiore-Gartland, Andrew J., Haigwood, Nancy L., Zolla-Pazner, Susan, Hioe, Catarina E.

Volltext

Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector Anopheles gambiae von Han, Qian, Wong, Dawn M., Robinson, Howard, Ding, Haizhen, Lam, Polo C. H., Totrov, Maxim M., Carlier, Paul R., Li, Jianyong

Volltext

3-Oxoisoxazole-2(3H)-carboxamides and isoxazol-3-yl carbamates: Resistance-breaking acetylcholinesterase inhibitors targeting the malaria mosquito, Anopheles gambiae von Verma, Astha, Wong, Dawn M., Islam, Rafique, Tong, Fan, Ghavami, Maryam, Mutunga, James M., Slebodnick, Carla, Li, Jianyong, Viayna, Elisabet, Lam, Polo C.-H., Totrov, Maxim M., Bloomquist, Jeffrey R., Carlier, Paul R.

Volltext

Corrigendum: Vaccination with immune complexes modulates the elicitation of functional antibodies against HIV-1 von Hioe, Catarina E., Liu, Xiaomei, Banin, Andrew N., Heindel, Daniel W., Klingler, Je´romine, Rao, Priyanka G., Luo, Christina C., Jiang, Xunqing, Pandey, Shilpi, Ordonez, Tracy, Barnette, Philip, Totrov, Maxim, Zhu, Jiang, Na´das, Arthur, Zolla-Pazner, Susan, Upadhyay, Chitra, Shen, Xiaoying, Kong, Xiang-Peng, Hessell, Ann J.

Volltext

Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes von An, Jianghong, Totrov, Maxim, Abagyan, Ruben

Volltext