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Results: 1-9 |
Results: 9
ALL-ATOM EMPIRICAL POTENTIAL FOR MOLECULAR MODELING AND DYNAMICS STUDIES OF PROTEINS
Authors: MACKERELL AD BASHFORD D BELLOTT M DUNBRACK RL EVANSECK JD FIELD MJ FISCHER S GAO J GUO H HA S JOSEPHMCCARTHY D KUCHNIR L KUCZERA K LAU FTK MATTOS C MICHNICK S NGO T NGUYEN DT PRODHOM B REIHER WE ROUX B SCHLENKRICH M SMITH JC STOTE R STRAUB J WATANABE M WIORKIEWICZKUCZERA J YIN D KARPLUS M
Citation: Ad. Mackerell et al., ALL-ATOM EMPIRICAL POTENTIAL FOR MOLECULAR MODELING AND DYNAMICS STUDIES OF PROTEINS, JOURNAL OF PHYSICAL CHEMISTRY B, 102(18), 1998, pp. 3586-3616
USE OF THE MULTIPLE COPY SIMULTANEOUS SEARCH (MCSS) METHOD TO DESIGN A NEW CLASS OF PICORNAVIRUS CAPSID BINDING-DRUGS
Authors: JOSEPHMCCARTHY D HOGLE JM KARPLUS M
Citation: D. Josephmccarthy et al., USE OF THE MULTIPLE COPY SIMULTANEOUS SEARCH (MCSS) METHOD TO DESIGN A NEW CLASS OF PICORNAVIRUS CAPSID BINDING-DRUGS, Proteins, 29(1), 1997, pp. 32-58
CARBONIC ANHYDRASE-INHIBITOR BINDING - FROM SOLUTION TO THE GAS-PHASE
Authors: WU QY GAO JM JOSEPHMCCARTHY D SIGAL GB BRUCE JE WHITESIDES GM SMITH RD
Citation: Qy. Wu et al., CARBONIC ANHYDRASE-INHIBITOR BINDING - FROM SOLUTION TO THE GAS-PHASE, Journal of the American Chemical Society, 119(5), 1997, pp. 1157-1158
COMPARISON OF EXPERIMENTAL AND COMPUTATIONAL FUNCTIONAL-GROUP MAPPINGOF AN RNASE-A STRUCTURE - IMPLICATIONS FOR COMPUTER-AIDED DRUG DESIGN
Authors: JOSEPHMCCARTHY D FEDOROV AA ALMO SC
Citation: D. Josephmccarthy et al., COMPARISON OF EXPERIMENTAL AND COMPUTATIONAL FUNCTIONAL-GROUP MAPPINGOF AN RNASE-A STRUCTURE - IMPLICATIONS FOR COMPUTER-AIDED DRUG DESIGN, Protein engineering, 9(9), 1996, pp. 773-780
IONIC INTERACTIONS IN CRYSTALLINE BOVINE PANCREATIC RIBONUCLEASE-A
Authors: FEDOROV AA JOSEPHMCCARTHY D FEDOROV E SIRAKOVA D GRAF I ALMO SC
Citation: Aa. Fedorov et al., IONIC INTERACTIONS IN CRYSTALLINE BOVINE PANCREATIC RIBONUCLEASE-A, Biochemistry, 35(50), 1996, pp. 15962-15979
USE OF MCSS TO DESIGN NEW STRUCTURE-BASED DRUGS FOR POLIOVIRUS AND RELATED VIRUSES
Authors: JOSEPHMCCARTHY D KARPLUS M HOGLE JM
Citation: D. Josephmccarthy et al., USE OF MCSS TO DESIGN NEW STRUCTURE-BASED DRUGS FOR POLIOVIRUS AND RELATED VIRUSES, The FASEB journal, 9(6), 1995, pp. 1254-1254
USE OF A MINIMUM PERTURBATION APPROACH TO PREDICT TIM MUTANT STRUCTURES
Authors: JOSEPHMCCARTHY D PETSKO GA KARPLUS M
Citation: D. Josephmccarthy et al., USE OF A MINIMUM PERTURBATION APPROACH TO PREDICT TIM MUTANT STRUCTURES, Protein engineering, 8(11), 1995, pp. 1103-1115
CRYSTAL-STRUCTURE OF THE K12M G15A TRIOSEPHOSPHATE ISOMERASE DOUBLE MUTANT AND ELECTROSTATIC ANALYSIS OF THE ACTIVE-SITE/
Authors: JOSEPHMCCARTHY D LOLIS E KOMIVES EA PETSKO GA
Citation: D. Josephmccarthy et al., CRYSTAL-STRUCTURE OF THE K12M G15A TRIOSEPHOSPHATE ISOMERASE DOUBLE MUTANT AND ELECTROSTATIC ANALYSIS OF THE ACTIVE-SITE/, Biochemistry, 33(10), 1994, pp. 2815-2823
CRYSTAL-STRUCTURE OF THE MUTANT YEAST TRIOSEPHOSPHATE ISOMERASE IN WHICH THE CATALYTIC BASE GLUTAMIC-ACID-165 IS CHANGED TO ASPARTIC-ACID
Authors: JOSEPHMCCARTHY D ROST LE KOMIVES EA PETSKO GA
Citation: D. Josephmccarthy et al., CRYSTAL-STRUCTURE OF THE MUTANT YEAST TRIOSEPHOSPHATE ISOMERASE IN WHICH THE CATALYTIC BASE GLUTAMIC-ACID-165 IS CHANGED TO ASPARTIC-ACID, Biochemistry, 33(10), 1994, pp. 2824-2829
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