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P

Peter A. Kollman

Affiliation pending

116H-index
705Paper Count
13.9WCitation Count
Published Papers 120
Publication Date
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The open nucleotide pocket of the profilin/actin X-ray structure is unstable and closes in the absence of profilin
errBIOPHYSICAL JOURNAL
IF3.1
err2006-04-01
err31
errOAAI
errMinehardt, TJ; Kollman, PA; Cooke, R; Pate, E
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Chelate effect in cyclodextrin dimers:: A computational (MD, MM/PBSA, and MM/GBSA) study
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2006-02-08
err33
PREAI
errBeà, I; Gotsev, MG; Ivanov, PM; Jaime, C; Kollman, PA
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errSave
Hierarchical database screenings for HIV-1 reverse transcriptase using a pharmacophore model, rigid docking, solvation docking, and MM-PB/SA
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2005-02-19
err69
PREAI
errWang, JM; Kang, XS; Kuntz, ID; Kollman, PA
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errSave
Development and testing of a general amber force field (vol 25, pg 1157, 2004)
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2004-11-16
err135
PREAI
errWang, JM; Wolf, RM; Caldwell, JW; Kollman, PA; Case, DA
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Prediction of pKa shifts in proteins using a combination of molecular mechanical and continuum solvent calculations
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2004-09-16
err59
PREAI
errKuhn, B; Kollman, PA; Stahl, M
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Development and testing of a general amber force field
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2004-04-13
err1.6W
errOAAI
errWang, JM; Wolf, RM; Caldwell, JW; Kollman, PA; Case, DA
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CORRECTION
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2004-03-31
err0
PREAI
errKOLLMAN, PA
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A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2003-09-25
err4.3K
PREAI
errDuan, Y; Wu, C; Chowdhury, S; Lee, MC; Xiong, GM; Zhang, W; Yang, R; Cieplak, P; Luo, R; Lee, T; Caldwell, J; Wang, JM; Kollman, P
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Direct hydroxide attack is a plausible mechanism for amidase antibody 43C9
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2003-07-07
err13
PREAI
errChong, LT; Bandyopadhyay, P; Scanlan, TS; Kuntz, ID; Kollman, PA
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The intramolecular mechanism for the second proton transfer in triosephosphate isomerase (TIM): A QM/FE approach
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2002-12-03
err11
PREAI
errAlagona, G; Ghio, C; Kollman, PA
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errSave
Free energy calculations for theophylline binding to an RNA aptamer: MM-PBSA and comparison of thermodynamic integration methods
errBIOPOLYMERS
IF3.2
err2002-11-25
err210
PREAI
errGouda, H; Kuntz, ID; Case, DA; Kollman, PA
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errSave
Molecular dynamics simulation study of the negative correlation in antibody AZ28-catalyzed oxy-Cope rearrangement
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-09-25
err11
PREAI
errAsada, T; Gouda, H; Kollman, PA
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errSave
A NEW TECHNIQUE TO CALCULATE LOW-ENERGY CONFORMATIONS OF CYCLIC MOLECULES UTILIZING THE ELLIPSOID ALGORITHM AND MOLECULAR-DYNAMICS - APPLICATION TO 18-CROWN-6
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err90
PREAI
errBILLETER, M; HOWARD, AE; KUNTZ, ID; KOLLMAN, PA
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errSave
MANY-BODY POTENTIAL FOR MOLECULAR-INTERACTIONS
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err92
PREAI
errHOWARD, AE; SINGH, UC; BILLETER, M; KOLLMAN, PA
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QUANTITATION OF LONG-RANGE EFFECTS IN STEROIDS BY MOLECULAR-ORBITAL CALCULATIONS
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err46
PREAI
errKOLLMAN, PA; GIANNINI, DD; DUAX, WL; ROTHENBERG, S; WOLFF, ME
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THEORETICAL INVESTIGATION OF THE HYDROGEN-BOND STRENGTHS IN GUANINE CYTOSINE AND ADENINE THYMINE BASE-PAIRS
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err211
PREAI
errGOULD, IR; KOLLMAN, PA
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errSave
IMPLEMENTATION OF NONADDITIVE INTERMOLECULAR POTENTIALS BY USE OF MOLECULAR-DYNAMICS - DEVELOPMENT OF A WATER WATER POTENTIAL AND WATER ION CLUSTER INTERACTIONS
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err363
PREAI
errCALDWELL, J; DANG, LX; KOLLMAN, PA
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MONTE-CARLO SIMULATION STUDIES OF THE SOLVATION OF IONS .1. ACETATE ANION AND METHYLAMMONIUM CATION
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err85
PREAI
errALAGONA, G; GHIO, C; KOLLMAN, P
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errSave
FREE-ENERGY CALCULATIONS ON PROTEIN STABILITY - THR-157-] VAL-157 MUTATION OF T4 LYSOZYME
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err124
PREAI
errDANG, LX; MERZ, KM; KOLLMAN, PA
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SUBSTITUENT EFFECTS ON PROTON AFFINITIES OF SIMPLE MOLECULES
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err40
PREAI
errJOHANSSO, A; KOLLMAN, PA; LIEBMAN, JF; ROTHENBE, S
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Research Directions

No research directions
Co-authors
Cooperation Journals
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K. N. Houk
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Henry F. Schaefer
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David N. Reinhoudt
H-index: 116 · Papers: 1.9K
T
Teri E. Klein
H-index: 110 · Papers: 506
R
Roberto Car
H-index: 108 · Papers: 589
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