ioChem-BD Browse - Barcelona Supercomputing Center: Browsing Browse

Browsing by Subject Protein design

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:

Showing results 1 to 20 of 330 next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
14-Feb-2023	alpha2_parallel-antiparallel_md10	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-171.46469365247998; Eh
14-Feb-2023	alpha2_parallel-antiparallel_md11	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-171.50754220992; Eh
14-Feb-2023	alpha2_parallel-antiparallel_md3	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-171.47093913024; Eh
14-Feb-2023	alpha2_parallel-antiparallel_md4	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-171.5013260544; Eh
14-Feb-2023	alpha2_parallel-antiparallel_md5	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-171.51866872512; Eh
14-Feb-2023	alpha2_parallel-antiparallel_md6	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-171.4686213984; Eh
14-Feb-2023	alpha2_parallel-antiparallel_md7	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-171.47955174144; Eh
14-Feb-2023	alpha2_parallel-antiparallel_md8	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-171.4498989888; Eh
14-Feb-2023	alpha2_parallel-antiparallel_md9	Curti, Mariano	Amber; 18	Molecular Dynamics	-	-	-171.47448441216; Eh
14-Feb-2023	alpha4_antiparallel_2chroms_EET1	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3686306; Eh
14-Feb-2023	alpha4_antiparallel_2chroms_EET2	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3706521; Eh
14-Feb-2023	alpha4_antiparallel_2chroms_EET3	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3649769; Eh
14-Feb-2023	alpha4_antiparallel_2chroms_EET4	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3849725; Eh
14-Feb-2023	alpha4_antiparallel_2chroms_EET5	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.365953; Eh
14-Feb-2023	alpha4_antiparallel_2chroms_EET6	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3640152; Eh
14-Feb-2023	alpha4_antiparallel_2chroms_EET7	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3611618; Eh
14-Feb-2023	alpha4_antiparallel_2chroms_EET8	Curti, Mariano	Gaussian; 16; ES64L-G16RevB.01	Excitation energy transfer	RCAM-B3LYP; TD-FC	6-31G(D)	-4315.3651286; Eh
14-Feb-2023	epsilon_parallel-antiparallel_md0	Curti, Mariano	Amber; 20	Molecular Dynamics	-	-	-171.3931325664; Eh
14-Feb-2023	epsilon_parallel-antiparallel_md1	Curti, Mariano	Amber; 20	Molecular Dynamics	-	-	-171.40164494016; Eh
14-Feb-2023	epsilon_parallel-antiparallel_md10	Curti, Mariano	Amber; 20	Molecular Dynamics	-	-	-171.41655322751998; Eh

Showing results 1 to 20 of 330 next >